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| CAS No.: | 7774-74-5 |
|---|---|
| Name: | Thiophenethiol |
| Article Data: | 40 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H4S2 |
| Molecular Weight: | 116.208 |
| Synonyms: | 2-Thiophenethiol(6CI,7CI,8CI,9CI);2-Mercaptothiophene;2-Thienylmercaptan;a-Thienyl mercaptan;2-Thienyl mercaptan;2-Thiophenethiol(7774-74-5 );Thiophene-2-thiol;2-Thiophenethiol; |
| EINECS: | 231-881-1 |
| Density: | 1.269 g/cm3 |
| Boiling Point: | 166.9 °C at 760 mmHg |
| Flash Point: | 54.7 °C |
| Appearance: | Clear yellowish to orange liquid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-36/38-21/22-20/22 |
| Safety: | 26-36-36/37/39 |
| Transport Information: | UN 3334 |
| PSA: | 67.04000 |
| LogP: | 2.03680 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 1227941-25-4
3-(thiophen-2-ylsulfanyl)propionic acid 2-ethylhexyl ester
- 7774-74-5
Thiophene-2-thiol
| Conditions | Yield |
|---|---|
| Stage #1: 3-(thiophen-2-ylsulfanyl)propionic acid 2-ethylhexyl ester With sodium methylate In methanol at 20℃; for 1h; Reflux; Stage #2: With hydrogenchloride In water at 20℃; pH=1 - 2; | 87.3% |
- 16629-19-9
thiophene-2-sulfonyl chloride
- 7774-74-5
Thiophene-2-thiol
| Conditions | Yield |
|---|---|
| With triphenylphosphine In toluene for 0.166667h; Inert atmosphere; chemoselective reaction; | 85% |
- 188290-36-0
thiophene
- 7774-74-5
Thiophene-2-thiol
| Conditions | Yield |
|---|---|
| With n-butyllithium; water; sulfur | 70% |
| With n-butyllithium; sulfur 1.) hexane/THF, -20 - -30 deg C, 0.5 h, 2.) hexane/THF, -70 deg C, 1 h; Yield given. Multistep reaction; | |
| With n-butyllithium; sulfur In tetrahydrofuran; hexane at 0 - 5℃; for 2h; |
- 96-43-5
2-thienyl chloride
A
- 188290-36-0
thiophene
B
- 7774-74-5
Thiophene-2-thiol
C
- 7774-73-4
thiophene-3-thiol
D
- 3807-38-3
sulfure de dithienyle-3,3'
E
- 3807-37-2
2-thienyl 3-thienyl sulfide
F
- 3988-99-6
bis(thien-2-yl)sulfide
| Conditions | Yield |
|---|---|
| With dimethylselenide; hydrogen sulfide In gas at 500℃; Product distribution; Mechanism; effect of dimethyl selenide on reaction; various temperatures; | A 46% B 10% C 3% D n/a E n/a F 1.8% |
- 1227941-25-4
3-(thiophen-2-ylsulfanyl)propionic acid 2-ethylhexyl ester
- 7774-74-5
Thiophene-2-thiol
| Conditions | Yield |
|---|---|
| Stage #1: 3-(thiophen-2-ylsulfanyl)propionic acid 2-ethylhexyl ester With sodium methylate In methanol at 20℃; for 1h; Reflux; Stage #2: With hydrogenchloride In water at 20℃; pH=1 - 2; | 87.3% |
- 16629-19-9
thiophene-2-sulfonyl chloride
- 7774-74-5
Thiophene-2-thiol
| Conditions | Yield |
|---|---|
| With triphenylphosphine In toluene for 0.166667h; Inert atmosphere; chemoselective reaction; | 85% |
- 188290-36-0
thiophene
- 7774-74-5
Thiophene-2-thiol
| Conditions | Yield |
|---|---|
| With n-butyllithium; water; sulfur | 70% |
| With n-butyllithium; sulfur 1.) hexane/THF, -20 - -30 deg C, 0.5 h, 2.) hexane/THF, -70 deg C, 1 h; Yield given. Multistep reaction; | |
| With n-butyllithium; sulfur In tetrahydrofuran; hexane at 0 - 5℃; for 2h; |
- 96-43-5
2-thienyl chloride
A
- 188290-36-0
thiophene
B
- 7774-74-5
Thiophene-2-thiol
C
- 7774-73-4
thiophene-3-thiol
D
- 3807-38-3
sulfure de dithienyle-3,3'
E
- 3807-37-2
2-thienyl 3-thienyl sulfide
F
- 3988-99-6
bis(thien-2-yl)sulfide
| Conditions | Yield |
|---|---|
| With dimethylselenide; hydrogen sulfide In gas at 500℃; Product distribution; Mechanism; effect of dimethyl selenide on reaction; various temperatures; | A 46% B 10% C 3% D n/a E n/a F 1.8% |
- 96-43-5
2-thienyl chloride
- 110-81-6
Diethyl disulfide
A
- 188290-36-0
thiophene
B
- 7774-74-5
Thiophene-2-thiol
C
- 250-84-0
thieno[2,3-b]thiophene
D
- 3988-99-6
bis(thien-2-yl)sulfide
| Conditions | Yield |
|---|---|
| at 550℃; for 0.0141667h; Product distribution; gas phase copyrolysis; | A 18.4% B 36.4% C 3.4% D 14.3% |
- 3988-99-6
bis(thien-2-yl)sulfide
A
- 188290-36-0
thiophene
B
- 7774-74-5
Thiophene-2-thiol
C
- 7774-73-4
thiophene-3-thiol
D
- 3807-37-2
2-thienyl 3-thienyl sulfide
E
- 3593-75-7
dithieno[3,2-b;2',3'-d]thiophene
F
- 492-97-7
2,2'-Bithiophene
| Conditions | Yield |
|---|---|
| With hydrogen sulfide at 450 - 600℃; Product distribution; | A 31.8% B 6% C 5% D 4.7% E n/a F 15.2% |
| at 500 - 600℃; Product distribution; | A 17.6% B 13.1% C 1.4% D 0.5% E n/a F 3% |
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Chemistry
Molecular Structure of 2-Thiophenethiol (CAS NO.7774-74-5):
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IUPAC Name: Thiophene-2-thiol
Canonical SMILES: C1=CSC(=C1)S
InChI: InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H
InChIKey: SWEDAZLCYJDAGW-UHFFFAOYSA-N
Molecular Weight: 116.20456 [g/mol]
Molecular Formula: C4H4S2
XLogP3: 2.2
EINECS: 231-881-1
Appearance: Clear yellowish to orange liquid
Index of Refraction: 1.636
Molar Refractivity: 32.81 cm3
Molar Volume: 91.5 cm3
Surface Tension: 46.4 dyne/cm
Density: 1.269 g/cm3
Flash Point: 54.7 °C
Enthalpy of Vaporization: 38.68 kJ/mol
Boiling Point: 166.9 °C at 760 mmHg
Vapour Pressure: 2.3 mmHg at 25 °C
storage temp.: Store under inert gas
Sensitive: Air Sensitive
Product Categories: THIOL;Thiophene & Benzothiophene; thiol Flavor
Uses
2-Thiophenethiol (CAS NO.7774-74-5) is used to deploy flavor for candy and baking food.
Safety Profile
Safety Information of 2-Thiophenethiol (CAS NO.7774-74-5):
Hazard Codes:
Xi,
Xn
Risk Statements:36/37/38-36/38-21/22-20/22
36/37/38:Irritating to eyes, respiratory system and skin
36/38:Irritating to eyes and skin
21/22:Harmful in contact with skin and if swallowed
20/22:Harmful by inhalation and if swallowed
Safety Statements:26-36-36/37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
RIDADR:UN3334
WGK Germany:3
F:10-13-23
Hazard Note:Irritant
Specification
2-Thiophenethiol (CAS NO.7774-74-5), its Synonyms are 2-Mercaptothiophene ; 2-Thienyl mercaptan ; FEMA No. 3062 ; alpha-Thienyl mercaptan ; Thiophene-2-thiol .