Products Categories
| CAS No.: | 7774-73-4 |
|---|---|
| Name: | thiophene-3-thiol |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H4S2 |
| Molecular Weight: | 116.208 |
| Synonyms: | 3-Mercaptothiophene;3-Thienyl mercaptan;thiophene-3-thiol; |
| EINECS: | 231-880-6 |
| Density: | 1.269 g/cm3 |
| Boiling Point: | 172.6 °C at 760 mmHg |
| Flash Point: | 58.2 °C |
| PSA: | 67.04000 |
| LogP: | 2.03680 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- Total:34 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 3-Thiophenethiol, with the CAS registry number 7774-73-4 and EINECS registry number 231-880-6, has the systematic name and IUPAC name of thiophene-3-thiol. It belongs to the product category of Thiophens. And the molecular formula of the chemical is C4H4S2.
The characteristics of 3-Thiophenethiol are as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 24.15; (6)ACD/BCF (pH 7.4): 2.27; (7)ACD/KOC (pH 5.5): 327.48; (8)ACD/KOC (pH 7.4): 30.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.54 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 32.81 cm3; (15)Molar Volume: 91.5 cm3; (16)Polarizability: 13×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 58.2 °C; (20)Enthalpy of Vaporization: 39.22 kJ/mol; (21)Boiling Point: 172.6 °C at 760 mmHg; (22)Vapour Pressure: 1.76 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Sc1ccsc1
(2)InChI: InChI=1/C4H4S2/c5-4-1-2-6-3-4/h1-3,5H
(3)InChIKey: VSGXHZUTTFLSBC-UHFFFAOYAA