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106-45-6

Basic Information
CAS No.: 106-45-6
Name: p-Toluenethiol
Molecular Structure:
Molecular Structure of 106-45-6 (p-Toluenethiol)
Formula: C7H8S
Molecular Weight: 124.21
Synonyms: p-Toluenethiol(7CI,8CI);1-Mercapto-4-methylbenzene;4-Mercaptotoluene;4-Methyl-1-thiophenol;4-Methylbenzenethiol;4-Methylphenyl mercaptan;4-Methylphenylthiol;4-Methylthiophenol;4-Thiocresol;4-Toluenethiol;NSC2227;NSC 229565;p-Mercaptotoluene;p-Methylbenzenethiol;p-Methylbenzenthiol;p-Methylphenyl mercaptan;p-Methylphenylthiol;p-Methylthiophenol;p-Thiocresol;p-Tolyl mercaptan;p-Tolylthiol;Benzenethiol, 4-methyl-;
EINECS: 203-399-1
Density: 1.049 g/cm3
Melting Point: 84-86 °C
Boiling Point: 195 °C at 760 mmHg
Flash Point: 69.5 °C
Solubility: slightly soluble
Appearance: White or colorless solid melt
Hazard Symbols: HarmfulXnIrritantXi
Risk Codes: R20/21/22;R36/37/38   
Safety: Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic fumes of SOx.
Transport Information:
PSA: 38.80000
LogP: 2.28370
Synthetic route
624-31-7

4-tolyl iodide

106-45-6

para-thiocresol

Conditions
ConditionsYield
With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 90℃; for 20h; Temperature; Solvent; Reagent/catalyst; Inert atmosphere;99%
With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 90℃; for 20h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;97%
With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; Sealed tube;97%
98-59-9

p-toluenesulfonyl chloride

106-45-6

para-thiocresol

Conditions
ConditionsYield
With potassium sulfide; acetic acid; triphenylphosphine; zinc In chloroform; water at 60℃; for 0.5h; Solvent; Reagent/catalyst;97.5%
With ISOPROPYLAMIDE; dimethylsilicon dichloride; zinc In 1,2-dichloro-ethane at 75℃; for 1.5h;96%
With formic acid; 6% Pd/C; triphenylphosphine at 60℃; for 8h;92%
103-19-5

di(p-tolyl) disulfide

106-45-6

para-thiocresol

Conditions
ConditionsYield
With indium; ammonium chloride In ethanol for 1h; Reduction; Heating;96%
With sodium tetrahydroborate; zirconium(IV) chloride In tetrahydrofuran at 35℃; for 0.25h; Reduction;95%
With ammonia; aluminium; sodium chloride at 25℃; for 1h;94%
4450-76-4

1-pentyl tosylate

A

628-17-1

amyl iodide

B

106-45-6

para-thiocresol

Conditions
ConditionsYield
With iodine; triphenylphosphine In benzene for 0.166667h; Heating;A 90%
B 95%
128916-30-3

(4-methylpyridyl)(4-methylphenyl)sulfide

106-45-6

para-thiocresol

Conditions
ConditionsYield
With magnesium In methanol at 20℃; for 4h;92%
623-13-2

4-methylphenyl methylsulfide

106-45-6

para-thiocresol

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; diethylamine In xylene for 6h; Heating;90%
With sodium methylselenide In N,N-dimethyl-formamide for 8h; Heating;55%
103-19-5

di(p-tolyl) disulfide

104-15-4

toluene-4-sulfonic acid

603-35-0

triphenylphosphine

A

106-45-6

para-thiocresol

B

791-28-6

Triphenylphosphine oxide

Conditions
ConditionsYield
In benzene for 23.5h; Product distribution; Mechanism; Heating; further reaction partners - various diaryl disulfides, diphenyl diselenide, tetrabutylammonium iodide, tributylphosphine;A 90%
B 90%
824-79-3

sodium 4-methylbenzenesulfinate

106-45-6

para-thiocresol

Conditions
ConditionsYield
With iodine; triphenylphosphine In 1,4-dioxane; benzene for 2h; Heating;88%
With hydrogenchloride; tin In water for 24h; Heating;81%
Multi-step reaction with 2 steps
1: iodine; triphenylphosphine / ethanol / 2 h / Reflux; Green chemistry
2: indole; iodine; triphenylphosphine / ethanol / 2 h / Reflux; Green chemistry
View Scheme
Multi-step reaction with 2 steps
1: sulfur dioxide / water / 9.5 h / 110 °C / Inert atmosphere
2: sodium tetrahydroborate; sodium hydroxide / water; tetrahydrofuran / 3 h / 65 - 67 °C / Inert atmosphere
View Scheme
104-15-4

toluene-4-sulfonic acid

106-45-6

para-thiocresol

Conditions
ConditionsYield
With 6% Pd/C; iodine; triphenylphosphine; isopropyl alcohol for 6h; Reflux;88%
With triphenylphosphine; iodine In benzene for 2.5h; Heating;89 % Chromat.
With diphosphorus pentasulfide; lithium aluminium tetrahydride 1.) sulfolane, 90 deg C for 24 h 2.) ether, room temperature for 30 min; Yield given. Multistep reaction;

3,5-diphenyl-5-(p-tolylthio)oxazolidine-2,4-dione

A

4732-66-5

2-oxo-N,2-diphenylacetamide

B

106-45-6

para-thiocresol

Conditions
ConditionsYield
With potassium hydroxide In 1,4-dioxane Schlenk technique; Inert atmosphere;A 83%
B 75%
106-43-4

para-chlorotoluene

106-45-6

para-thiocresol

Conditions
ConditionsYield
Stage #1: para-chlorotoluene With water; palladium diacetate; caesium carbonate; sodium thiosulfate; XPhos In toluene; tert-butyl alcohol at 80℃; for 24h; Inert atmosphere;
Stage #2: With hydrogenchloride; zinc In water for 1h; Cooling with ice;
82%
With sodium hydroxide; 1-thiopropane 1) N-methyl-2-pyrrolidone, removal of water by toluene reflux, 2) reflux (ca. 186 deg C), 20 h; other reagent: n-butyl mercaptan; Yield given. Multistep reaction;
With pumice stone; hydrogen sulfide; thorium dioxide at 700℃;
With hydrogen sulfide at 700℃;
106-38-7

para-bromotoluene

106-45-6

para-thiocresol

Conditions
ConditionsYield
Stage #1: para-bromotoluene With water; caesium carbonate; sodium thiosulfate; bis(dibenzylideneacetone)-palladium(0); XPhos In toluene; tert-butyl alcohol at 80℃; for 24h; Inert atmosphere;
Stage #2: With hydrogenchloride; zinc In water for 1h; Cooling with ice;
81%
With sodium thiomethoxide In N,N-dimethyl acetamide at 150℃;
With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; Green chemistry;14 %Chromat.
5720-05-8

4-methylphenylboronic acid

106-45-6

para-thiocresol

Conditions
ConditionsYield
Stage #1: 4-methylphenylboronic acid With copper (II)-fluoride; sulfur In dimethyl sulfoxide at 100℃; for 12h; Chan-Lam Coupling; Inert atmosphere;
Stage #2: With sodium tetrahydroborate In dimethyl sulfoxide at 40℃; for 5h; Inert atmosphere;
79%
6192-52-5

p-toluenesulfonic acid monohydrate

407-25-0

trifluoroacetic anhydride

A

75072-07-0

S-(trifluoroacetyl)-p-methylthiophenol

B

106-45-6

para-thiocresol

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide In dichloromethane for 20h; Product distribution; Ambient temperature;A 78%
B 11%
With sodium hydroxide; tetra-(n-butyl)ammonium iodide 1.) CH2Cl2, 20h, room temp.; 2.) MeOH, 30 min, room temp.; Yield given. Multistep reaction. Further byproducts given;
With sodium hydroxide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; tetra-(n-butyl)ammonium iodide 1.) CH2Cl2, 20h, room temp.; 2.) 0 deg C; Yield given. Multistep reaction. Further byproducts given;
122948-71-4

1-<α-(p-tolylsulfonyl)ethyl>-4-methoxybenzene

75-16-1

methylmagnesium bromide

A

613-33-2

(4,4'-dimethyl-1,1'-biphenyl)

B

644-08-6

4-Methylbiphenyl

C

623-13-2

4-methylphenyl methylsulfide

D

1712-69-2

1-isopropenyl-4-methoxybenzene

E

4132-48-3

1-methoxy-4-(1-methylethyl)benzene

F

106-45-6

para-thiocresol

Conditions
ConditionsYield
With bis(triphenylphosphine)nickel(II) diiodide; tricyclohexylphosphine; phenylboronic acid In tetrahydrofuran at 70℃; Kumada Cross-Coupling; Inert atmosphere;A 11%
B 31%
C 12%
D 78%
E 10%
F 7%
70-55-3

toluene-4-sulfonamide

106-45-6

para-thiocresol

Conditions
ConditionsYield
With ammonium formate at 100 - 200℃; for 7h; neat (no solvent);77%
With phosphorus; phosphoric acid; potassium iodide
With phosphonium iodide; hydrogen iodide at 75 - 100℃;
With diphosphorus pentasulfide; lithium aluminium tetrahydride 1.) sulfolane, 90 deg C for 60 h 2.) ether, room temperature for 30 min; Yield given. Multistep reaction;
33046-45-6

1-phenyl-2-(p-tolylthio)ethanone

A

103-19-5

di(p-tolyl) disulfide

B

106-45-6

para-thiocresol

C

98-86-2

acetophenone

Conditions
ConditionsYield
With electrolysis on Pt electrode In acetonitrile Product distribution; other electrode (Hg), other solvent (aq. ethanol), influence of phenol;A n/a
B n/a
C 72%
3147-28-2

3-[(4-methylphenyl)sulfanyl]-1-propanol

A

103-19-5

di(p-tolyl) disulfide

B

24599-52-8

4-methylphenyl propyl sulfide

C

106-45-6

para-thiocresol

Conditions
ConditionsYield
PPA In carbon disulfide for 40h; Ambient temperature;A 72%
B 21%
C 4%
657-84-1

sodium tosylate

A

103-19-5

di(p-tolyl) disulfide

B

106-45-6

para-thiocresol

Conditions
ConditionsYield
With sulfuric acid; triphenylphosphine In water at 20℃; for 10h;A 30%
B 68%
98-59-9

p-toluenesulfonyl chloride

A

103-19-5

di(p-tolyl) disulfide

B

106-45-6

para-thiocresol

Conditions
ConditionsYield
With sodium tetrahydroborate In tetrahydrofuran for 4h; Heating;A 60.2%
B 27%
With sodium tetrahydroborate In tetrahydrofuran for 2h; Heating;A 30.9%
B 27%
With sodium tetrahydroborate In tetrahydrofuran Product distribution; Heating; effect of reaction time;
With water; triphenylphosphine In tetrahydrofuran at 20℃;
3147-30-6

γ-chloropropyl 4-methylphenyl sulphide

A

71153-74-7

6-Methyl-3,4-dihydro-2H-1-benzothiopyran

B

24599-52-8

4-methylphenyl propyl sulfide

C

106-45-6

para-thiocresol

Conditions
ConditionsYield
aluminium trichloride In carbon disulfide for 3h; Heating;A 60%
B 15%
C 9%
64732-71-4

p-Tolyl-thionitrit

917-54-4

methyllithium

A

623-13-2

4-methylphenyl methylsulfide

B

103-19-5

di(p-tolyl) disulfide

C

106-45-6

para-thiocresol

Conditions
ConditionsYield
In diethyl ether at -70℃; for 0.05h;A 57%
B n/a
C n/a
64732-71-4

p-Tolyl-thionitrit

phenylmagnesium bromide

A

103-19-5

di(p-tolyl) disulfide

B

3699-01-2

4-tolyl phenyl sulfide

C

106-45-6

para-thiocresol

Conditions
ConditionsYield
In diethyl ether at -70℃; for 0.05h;A n/a
B 57%
C n/a
13290-16-9

2-(p-tolylthio)-ethanol

A

103-19-5

di(p-tolyl) disulfide

B

32327-68-7

p-methyl-2-phenylethyl chloride

C

3238-95-7

1,2-bis(p-tolylthio)ethane

D

106-45-6

para-thiocresol

Conditions
ConditionsYield
aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature;A 2.1%
B 54%
C 43%
D 0.3%
29627-34-7

4-(phenyldisulfanyl)toluene

882-33-7

diphenyldisulfane

106-45-6

para-thiocresol

Conditions
ConditionsYield
With triphenylphosphine In 1,4-dioxane; water53%
657-84-1

sodium tosylate

106-45-6

para-thiocresol

Conditions
ConditionsYield
With 18-crown-6 ether; iodine; triphenylphosphine In benzene for 5h; Heating;50%
With triphenylphosphine; 18-crown-6 ether; iodine In benzene for 30.5h; Heating;85 % Chromat.
With diphosphorus pentasulfide; lithium aluminium tetrahydride 1.) sulfolane, 90 deg C for 24 h 2.) ether, room temperature for 30 min; Yield given. Multistep reaction;
103603-53-8

N-(4-methylphenylthiomethyl)benzamide

A

100-47-0

benzonitrile

B

124778-69-4

2-phenyl-6-methyl-4H-1,3-benzothiazine

C

106-45-6

para-thiocresol

D

2,8-dimethyl-6H,12H-dibenzo<1,5>dithiocin

Conditions
ConditionsYield
With trichlorophosphate for 1h; Heating;A 49%
B 9.8%
C 16%
D 11%
29627-34-7

4-(phenyldisulfanyl)toluene

882-33-7

diphenyldisulfane

A

3541-14-8

phenyl toluene-4-thiosulfonate

B

106-45-6

para-thiocresol

Conditions
ConditionsYield
With PPEA 4%
B 46%
3147-28-2

3-[(4-methylphenyl)sulfanyl]-1-propanol

A

622-63-9

ethyl p-tolyl sulfide

B

103-19-5

di(p-tolyl) disulfide

C

106-45-6

para-thiocresol

D

4-Methyl-2-propyl-1-p-tolyldisulfanyl-benzene

Conditions
ConditionsYield
sulfuric acid In carbon disulfide for 40h; Ambient temperature;A 4%
B 45%
C 3%
D 42%
sulfuric acid In carbon disulfide for 40h; Product distribution; Ambient temperature; further catalysts;A 4%
B 45%
C 3%
D 42%
sulfuric acid In carbon disulfide for 40h; Ambient temperature;A 4%
B 45%
C 3%
D 42%
657-84-1

sodium tosylate

407-25-0

trifluoroacetic anhydride

A

75072-07-0

S-(trifluoroacetyl)-p-methylthiophenol

B

106-45-6

para-thiocresol

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide In dichloromethane for 19h; Product distribution; Ambient temperature;A 44%
B 26%
With sodium hydroxide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; tetra-(n-butyl)ammonium iodide 1.) CH2Cl2, 22h, room temp.; 2.) 0 deg C; Yield given. Multistep reaction. Further byproducts given;
106-95-6

allyl bromide

106-45-6

para-thiocresol

1516-28-5

allyl (p-tolyl)sulfide

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 20℃;100%
Stage #1: para-thiocresol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.333333h;
Stage #2: allyl bromide In tetrahydrofuran; mineral oil for 0.4h;
95%
With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 4.33333h;95%
106-45-6

para-thiocresol

103-19-5

di(p-tolyl) disulfide

Conditions
ConditionsYield
With bis dichromate In dichloromethane at 0 - 5℃; for 1h;100%
With bromine; potassium hydrogencarbonate In dichloromethane100%
With N-phenyltriazolinedione In toluene at 20℃; for 0.166667h;100%
109-70-6

1,3-chlorobromopropane

106-45-6

para-thiocresol

3147-30-6

γ-chloropropyl 4-methylphenyl sulphide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃;100%
With sodium hydroxide In ethanol at 100℃;65%
With potassium hydroxide
78-94-4

methyl vinyl ketone

106-45-6

para-thiocresol

6110-02-7

4-(p-tolylthio)butan-2-one

Conditions
ConditionsYield
With zirconium In acetonitrile Michael Addition; Electrolysis; diastereoselective reaction;100%
With triethylammonium acetate at 25℃; for 0.0166667h; Thia-Michael reaction; chemoselective reaction;99%
Mg-La mixed oxides In N,N-dimethyl-formamide at 24.85℃; for 0.45h; Michael addition;97%
88766-29-4

(methoxycarbonyl)disulfanyl chloride

106-45-6

para-thiocresol

94839-62-0

Methoxycarbonyl 4-methylphenyl trisulfane

Conditions
ConditionsYield
In dichloromethane at -78℃; for 1h;100%
16192-07-7

4-tosylacetonitrile

106-45-6

para-thiocresol

97479-48-6

3-p-tolylsulphonyl-2-p-tolylthiopropene

Conditions
ConditionsYield
With triethylamine In methanol for 1.75h; Ambient temperature;100%
With triethylamine In benzene for 2h; Ambient temperature;65%
With triethylamine In benzene for 18h; Ambient temperature;55%
With triethylamine In benzene
33840-84-5

p-toluene(N-phenylsulfonyl)iminosulfinyl chloride

106-45-6

para-thiocresol

A

98-10-2

benzenesulfonamide

B

103-19-5

di(p-tolyl) disulfide

Conditions
ConditionsYield
In benzene at 20℃; for 2.5h; Mechanism;A 100%
B 95%
129221-76-7

2,3-dicyanobenzaldehyde

106-45-6

para-thiocresol

129221-84-7

3-Oxo-1-p-tolylsulfanyl-2,3-dihydro-1H-isoindole-4-carbonitrile

Conditions
ConditionsYield
With triethylamine In chloroform at 20℃; for 4h;100%
127022-75-7

(methoxy)diphenyl-λ6-sulfanenitrile

106-45-6

para-thiocresol

A

623-13-2

4-methylphenyl methylsulfide

B

22731-83-5

S,S-diphenylsulphoximine

Conditions
ConditionsYield
In benzene at 30℃; for 6h; Rate constant; Product distribution;A 77%
B 100%
In benzene at 30℃; for 6h; Yields of byproduct given;A 77%
B n/a
34162-79-3

vinylidene-1,1-diphosphonic acid

106-45-6

para-thiocresol

87774-69-4

(1-Phosphono-2-p-tolylsulfanyl-ethyl)-phosphonic acid

Conditions
ConditionsYield
With acetic acid; triethylamine at 110℃; for 15h;100%
70925-53-0

p-toluene(N-benzoyl)iminosulfinyl chloride

106-45-6

para-thiocresol

A

103-19-5

di(p-tolyl) disulfide

B

15934-46-0

benzamidene hydrochloride

Conditions
ConditionsYield
In benzene at 20℃; for 2.5h; Mechanism;A 90%
B 100%
106-45-6

para-thiocresol

3874-54-2

4-(4-fluorophenyl)-4-oxo-n-butyl chloride

132427-90-8

1-(4-fluorophenyl)-4-(p-tolylthio)butan-1-one

Conditions
ConditionsYield
100%
With triethylamine In tetrahydrofuran for 16h; Ambient temperature;99%
106-45-6

para-thiocresol

104-15-4

toluene-4-sulfonic acid

Conditions
ConditionsYield
With dinitrogen tetraoxide In tetrachloromethane; diethyl ether for 2.5h; Ambient temperature;100%
With dihydrogen peroxide; trichlorophosphate In water at 80℃; for 1.16667h; Micellar solution;95%
With HOF* CH3CN In dichloromethane at 0℃;90%
With dihydrogen peroxide; methyltrioxorhenium(VII) In acetonitrile at 20℃;87%
Multi-step reaction with 2 steps
1: pyridine / acetonitrile / Heating
2: hydrogenchloride; water / 40 °C
View Scheme
637-59-2

1-Bromo-3-phenylpropane

106-45-6

para-thiocresol

38644-97-2

(3-phenylpropyl)(p-tolyl)sulfane

Conditions
ConditionsYield
With potassium carbonate In acetone at 20℃; for 12h;100%
With potassium hydroxide
With potassium carbonate In acetone at 45℃;
Conditions
ConditionsYield
With boron trifluoride diethyl etherate In dichloromethane at 0 - 20℃;100%
With trifluorormethanesulfonic acid In dichloromethane at 0℃; for 2.5h; Molecular sieve; Inert atmosphere; stereoselective reaction;88%
With boron trifluoride diethyl etherate In dichloromethane87%
4214-28-2

1-iodo-2,4-dimethylbenzene

106-45-6

para-thiocresol

16704-46-4

(2,4‑dimethylphenyl)(4‑methylphenyl) sulfide

Conditions
ConditionsYield
With 1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene); copper(I) bromide In toluene Substitution; Heating;100%
Stage #1: para-thiocresol With potassium hydroxide In methanol at 70℃; for 0.25h; Inert atmosphere; Schlenk technique; Green chemistry;
Stage #2: 1-iodo-2,4-dimethylbenzene With copper(l) iodide In methanol at 110℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry;
22445-41-6

3,5-dimethylphenyl iodide

106-45-6

para-thiocresol

(3,5‑dimethylphenyl)(4‑methylphenyl) sulfide

Conditions
ConditionsYield
Stage #1: para-thiocresol With potassium hydroxide In methanol at 70℃; for 0.25h; Inert atmosphere; Schlenk technique; Green chemistry;
Stage #2: 3,5-dimethylphenyl iodide With copper(l) iodide In methanol at 110℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry;
100%
With 1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene); copper(I) bromide In toluene Substitution; Heating;92%
With copper(l) iodide; 1,10-Phenanthroline In 1-methyl-pyrrolidin-2-one; methanol at 25℃; for 36h; Inert atmosphere;50%
With C15H16N3Ni(1+)*BF4(1-); sodium t-butanolate In acetonitrile at 100℃; for 24h; Reagent/catalyst; Inert atmosphere; Schlenk technique;0.20 g
141-52-6

sodium ethanolate

106-93-4

ethylene dibromide

106-45-6

para-thiocresol

57023-03-7

(2-ethoxyethyl)-para-thiocresol

Conditions
ConditionsYield
Stage #1: para-thiocresol With sodium ethanolate In ethanol at 20℃; Metallation;
Stage #2: ethylene dibromide In ethanol at 20℃; Alkylation;
Stage #3: sodium ethanolate In ethanol Substitution; Heating;
100%
106-45-6

para-thiocresol

107-07-3

2-chloro-ethanol

20761-71-1

(2-chloro-ethyl)-p-tolyl sulfide

Conditions
ConditionsYield
Stage #1: para-thiocresol With sodium ethanolate In ethanol at 20℃; for 0.5h; Metallation;
Stage #2: 2-chloro-ethanol In ethanol for 3.5h; Alkylation; Heating;
Stage #3: With hydrogenchloride In ethanol; water Chlorination; 15 h, r.t., 4.5 h, reflux;
100%
23545-41-7

N-(2-bromo-ethyl)-ethylenediamine; dihydrobromide

106-45-6

para-thiocresol

115335-17-6

S-2-(2-aminoethylamino)ethyl 4-tolyl sulfide

Conditions
ConditionsYield
With triethylamine In chloroform at 0 - 5℃; for 3h;100%
23545-43-9

N-(2-bromo-ethyl)-butanediyldiamine; dihydrobromide

106-45-6

para-thiocresol

S-2-(4-aminobutylamino)ethyl 4-tolyl sulfide

Conditions
ConditionsYield
With triethylamine In chloroform at 0 - 5℃; for 3h;100%
23545-42-8

dibromohydrate du N-(bromoethyl-2)diamino-1,3 propane

106-45-6

para-thiocresol

S-2-(3-aminopropylamino)ethyl 4-tolyl sulfide

Conditions
ConditionsYield
With triethylamine In chloroform at 0 - 5℃; for 3h;100%
60940-34-3

2-phenyl-1,2-benzoisoselenazol-3(2H)-one

106-45-6

para-thiocresol

C20H17NOSSe

Conditions
ConditionsYield
In dichloromethane at 20℃; for 1h;100%
619-58-9

4-iodobenzoic acid

106-45-6

para-thiocresol

4-[(4-methylphenyl)thio]benzamide

Conditions
ConditionsYield
Stage #1: 4-iodobenzoic acid With SPPSLRAM SynPhase Lanterns(R); N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane; N,N-dimethyl-formamide at 45℃; for 15h;
Stage #2: para-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h;
Stage #3: With trifluoroacetic acid In dichloromethane
100%
619-58-9

4-iodobenzoic acid

106-45-6

para-thiocresol

22494-64-0

4-[(4-methylphenyl)thio]benzoic acid

Conditions
ConditionsYield
Stage #1: 4-iodobenzoic acid With dmap; SPPSLHMP SynPhase Lanterns(R); dacarbazine In dichloromethane; N,N-dimethyl-formamide at 50℃; for 15h;
Stage #2: para-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h;
Stage #3: With trifluoroacetic acid In dichloromethane
100%
82998-57-0

3-iodo-4-toluic acid

106-45-6

para-thiocresol

4-methyl-3-[(4-methylphenyl)thio]benzoic acid

Conditions
ConditionsYield
Stage #1: 3-iodo-4-toluic acid With dmap; SPPSLHMP SynPhase Lanterns(R); dacarbazine In dichloromethane; N,N-dimethyl-formamide at 50℃; for 15h;
Stage #2: para-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h;
Stage #3: With trifluoroacetic acid In dichloromethane
100%
52107-87-6

4-iodo-3-methylbenzoic acid

106-45-6

para-thiocresol

3-methyl-4-[(4-methylphenyl)thio]benzoic acid

Conditions
ConditionsYield
Stage #1: 4-iodo-3-methylbenzoic acid With dmap; SPPSLHMP SynPhase Lanterns(R); dacarbazine In dichloromethane; N,N-dimethyl-formamide at 50℃; for 15h;
Stage #2: para-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h;
Stage #3: With trifluoroacetic acid In dichloromethane
100%
623-43-8

crotonic acid methyl ester

106-45-6

para-thiocresol

4-(4-mercapto-phenyl)-3-methyl-butyric acid methyl ester

Conditions
ConditionsYield
With magnesium oxide In toluene at 20℃; for 0.5h; Michael addition;100%
292638-85-8

acrylic acid methyl ester

106-45-6

para-thiocresol

3-(4-methylphenylsulfanyl)propionic acid methyl ester

Conditions
ConditionsYield
With sodium acetate In tetrahydrofuran; water at 25℃; for 18h;100%
With phosphotungstic acid In water at 20℃; for 2.5h; Michael addition;98%
In water at 30 - 35℃; for 0.25h; thia-Michael addition;95%
944719-58-8

2-(4-bromophenyl)benzo[d][1,2]selenazol-3(2H)-one

106-45-6

para-thiocresol

C20H16NOSSeBr

Conditions
ConditionsYield
In dichloromethane at 20℃; for 1h;100%
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  • p-Toluenethiol  106-45-6

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    106-45-6

    p-Toluenethiol 106-45-6

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    106-45-6

    P-methyl thiophenol cas#106-45-6, 98%

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    106-45-6

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  • Casno:

    106-45-6

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    106-45-6

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    106-45-6

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  • p-Toluenethiol 106-45-6CAS NO.: 106-45-6

  • Casno:

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    106-45-6

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    106-45-6

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    Tel:+86-571-86904883

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    106-45-6

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    please contact us to confirm the required quantity and quote, we will provide you with COA,NMR,HPLC and other relevant informationAppearance:White solid Storage:Store in a cool place. Keep container tightly closed in a dry and well-ventilated place P

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  •  Nanjing Chemlin Chemical Co., Ltd.

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    Business Type:Trading Company

    Tel:+86-25-83697070

    Address:Rm.902 Longyin Plaza, No. 217 Zhongshan Rd.(N) Nanjing 210009,China

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    Product Description Description & Specification Category Pharmaceutical Raw Materials, Fine Chemicals, Bulk drug Standard Medical standard

    Zhuo Zhou Wen Xi Import and Export Co., Ltd. is a company mainly engaged in the export of pharmaceutical raw materials. Its parent company is (Wen Xi Pharma), including three subs

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    Business Type:Trading Company

    Tel:+86-13111626072

    Address:Room 1710, Baoxin International Phase I, 19 Guanyun East Road, Zhuozhou, Hebei

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    106-45-6

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Chemistry


IUPAC Name: 4-Methylbenzenethiol
Canonical SMILES: CC1=CC=C(C=C1)S
InChI: InChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey: WLHCBQAPPJAULW-UHFFFAOYSA-N
Molecular Weight: 124.20342 [g/mol]
Molecular Formula: C7H8S
XLogP3: 2.9 
EINECS: 203-399-1 
Appearance: White or colorless solid melt
Melting Point: 84-86 °C
Index of Refraction: 1.577
Molar Refractivity: 39.25 cm3
Molar Volume: 118.3 cm3
Surface Tension: 37.8 dyne/cm
Density: 1.049 g/cm3
Flash Point: 69.5 °C
Enthalpy of Vaporization: 41.36 kJ/mol
Boiling Point: 195 °C at 760 mmHg
Vapour Pressure: 0.601 mmHg at 25 °C
storage temp.: Store at RT.
Water Solubility: slightly soluble
Sensitive: Stench
Product Categories of p-Toluenethiol (CAS NO.106-45-6): Intermediates; Phenol & Thiophenol & Mercaptan

Uses

 p-Toluenethiol (CAS NO.106-45-6) is used in organic synthesis, and the synthesis of dyes, medicine, etc.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic fumes of SOx.
Hazard Codes: IrritantXi,HarmfulXn
Risk Statements:
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements:
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR: 2811
WGK Germany: 3
RTECS: XT8925000
F: 13
Hazard Note: Harmful/Stench
HazardClass: 6.1
PackingGroup of p-Toluenethiol (CAS NO.106-45-6): III 

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid, Poison (UN 1228); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3071)

Specification

 p-Toluenethiol (CAS NO.106-45-6), its Synonyms are 4-Methylbenzenethiol ; 4-Methylphenyl mercaptan ; 4-Methylphenylmercaptan ; 4-Methylthiophenol ; 4-Thiocresol ; 4-Toluenethiol ; 1-Mercapto-4-methylbenzene ; Toluene, 4-mercapto- ; Benzenethiol, 4-methyl- ; p-Methylphenyl mercaptan ; p-Methylphenylmercaptan ; p-Methylthiophenol ; p-Thiocresol ; p-Tolyl mercaptan ; p-Tolylthiol ; p-Tolylthiophenol .

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