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| CAS No.: | 15570-12-4 |
|---|---|
| Name: | 3-Methoxybenzenethiol |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8OS |
| Molecular Weight: | 140.206 |
| Synonyms: | Benzenethiol,m-methoxy- (6CI,7CI,8CI);(m-Methoxyphenyl)thiol;3-Mercaptoanisole;3-Methoxythiophenol;m-Methoxybenzenethiol;m-Methoxythiophenol; |
| EINECS: | 239-617-7 |
| Density: | 1.112 g/cm3 |
| Melting Point: | 264.4-268.3 °C (decomp) |
| Boiling Point: | 223.5 °C at 760 mmHg |
| Flash Point: | 96.1 °C |
| Solubility: | Not miscible or difficult to mix in water. Soluble in methanol, benzene, hexane, toluene and dichloromethane. |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 20/21/22-36/37/38-22 |
| Safety: | 26-36/37-37/39 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 48.03000 |
| LogP: | 1.98390 |
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3-methoxy-1-iodobenzene
- 15570-12-4
3-methoxybenzenethiol
| Conditions | Yield |
|---|---|
| Stage #1: 3-methoxy-1-iodobenzene With copper(l) iodide; potassium carbonate; sulfur In N,N-dimethyl-formamide at 90℃; for 12h; Inert atmosphere; Stage #2: With sodium tetrahydroborate In N,N-dimethyl-formamide at 40℃; Inert atmosphere; Cooling with ice; | 89% |
| With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; Green chemistry; | 89% |
| With copper(l) iodide; thiourea; L-proline; sodium t-butanolate In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere; | 85% |
- 2388-74-1
1-methoxy-3-methylsulfanyl-benzene
- 15570-12-4
3-methoxybenzenethiol
| Conditions | Yield |
|---|---|
| With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; diethylamine In xylene for 6h; Heating; | 88% |
- 536-90-3
m-Anisidine
- 15570-12-4
3-methoxybenzenethiol
| Conditions | Yield |
|---|---|
| und ueber mehrere Stufen.Diazotization; | |
| With hydrogenchloride; sodium nitrite Diazotization.man traegt in eine waessr. Loesung von xanthogensaurem Kalium bei 85-90grad ein und verseift den entstandenen Ester durch Kochen mit alkoh. Kalilauge; | |
| (i) aq. NaNO2, aq. HCl, (ii) potassium ethylxanthate, (iii) KOEt, EtOH; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With disulfur dichloride; carbon disulfide; aluminium amalgam Destillieren des Reaktionsprodukts unter wenig vermindertem Druck; |
- 2388-74-1
1-methoxy-3-methylsulfanyl-benzene
A
- 3463-03-4
3-methylsulfanylphenol
B
- 15570-12-4
3-methoxybenzenethiol
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium isopropanethiolate 1)sodium isopropanethiolate,HMPA,120 degC,2.5 h 2)hydrochloric acid; Yield given. Multistep reaction. Yields of byproduct given; |
A
- 15570-12-4
3-methoxybenzenethiol
B
- 632-22-4
tetramethylurea
| Conditions | Yield |
|---|---|
| at 20℃; Rate constant; pH=11; |
- 3996-32-5
[(3-methoxyphenyl)sulfanyl]acetic acid
A
- 15570-12-4
3-methoxybenzenethiol
B
- 298-12-4
Glyoxilic acid
| Conditions | Yield |
|---|---|
| With perchloric acid; sodium perborate; acetic acid at 24.9℃; Rate constant; Thermodynamic data; Mechanism; var. temp., ΔH(excit.), ΔS(excit.); |
| Conditions | Yield |
|---|---|
| With triphenylphosphine In 1,4-dioxane; water at 30℃; Rate constant; |
- 50667-88-4
S-(3-methoxyphenyl) dimethylcarbamothioate
- 15570-12-4
3-methoxybenzenethiol
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol Heating; | |
| With sodium hydroxide In methanol |
- 248584-43-2
(3S,3aR,4S,6aR,9S,9aR,9bR)-4-Hydroxy-3-(3-methoxy-phenylsulfanylmethyl)-9-methyl-6-methylene-octahydro-azuleno[4,5-b]furan-2,8-dione
A
- 22489-66-3
grosheimin
B
- 15570-12-4
3-methoxybenzenethiol
| Conditions | Yield |
|---|---|
| With phosphate buffer In methanol at 37℃; pH=7.4; Kinetics; Hydrolysis; |
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Chemistry
Molecular Structure of 3-methoxybenzenethiol (CAS NO.15570-12-4):
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IUPAC Name: 3-methoxybenzenethiol
Empirical Formula: C7H8OS
Molecular Weight: 140.2028
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 34.53Å2
Index of Refraction: 1.565
Molar Refractivity: 41.1 cm3
Molar Volume: 126 cm3
Surface Tension: 37.7 dyne/cm
Density: 1.112 g/cm3
Flash Point: 96.1 °C
Enthalpy of Vaporization: 44.12 kJ/mol
Boiling Point: 223.5 °C at 760 mmHg
Vapour Pressure: 0.143 mmHg at 25°C
EINECS: 239-617-7
Sensitive: Stench
BRN: 2041496
InChI
InChI=1/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3
Smiles
c1c(S)cccc1OC
Product Categories: Thiol; Sulphur Derivatives; Phenol&Thiophenol&Mercaptan; Phenoles and thiophenoles; API intermediates; Miscellaneous
Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21/22-36/37/38-22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-36/37-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
F: 13
Hazard Note: Harmful/Stench
HS Code: 29309070
Specification
3-methoxybenzenethiol , with CAS number of 15570-12-4, can be called benzenethiol, 3-methoxy- ; meta-Methoxybenzenethiol ; 3-Mercaptoanisole ; 3-Methoxy Thiophenol ; 3-Methoxythiophenol . It is a clear colorless to light yellow liquid.