2-Thiophenethiol

C₄H₄S₂CAS 7774-74-5116.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₄S₂
Molar mass: 116.20 g/mol
Exact mass: 115.9754 Da
Density: 1.2454 g/mL (at 20 °C)
Boiling point: 171.1 °C
logP: 2.04Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed96.3% of notifiers
H312 Harmful in contact with skin96% of notifiers
H332 Harmful if inhaled96.3% of notifiers

Aggregated from 1,423 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

7774-74-5

SMILES

Sc1cccs1

InChIKey

SWEDAZLCYJDAGW-UHFFFAOYSA-N

InChI

InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

2-Mercaptothiophene
α-Thienyl mercaptan
2-Thienylmercaptan
2-Thienylthiol

Reactions

2-Thiophenethiolproduct

Work with 2-Thiophenethiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-Bithiophene492-97-747 % similar 2-Thiophenemethanethiol6258-63-542 % similar Tris(2-thienyl)phosphine24171-89-941 % similar 2-Methylthiophene554-14-341 % similar 2,2′-Dithiobis[thiophene]6911-51-941 % similar 2-Chlorothiophene96-43-541 % similar 2-Phenylthiophene825-55-838 % similar 2-Thiophenecarbothioamide20300-02-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook