chempirical

2-Thiophenemethanethiol

C5H6S2CAS 6258-63-5130.22 g/mol

Open in Covalent MOL file
HSS
Thiol

Properties

Molecular formula
C5H6S2
Molar mass
130.22 g/mol
Exact mass
129.9911 Da
Boiling point
181.5–183.5 °C
logP
2.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
6258-63-5
SMILES
SCc1cccs1
InChIKey
GCZQHDFWKVMZOE-UHFFFAOYSA-N
InChI
InChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2

Weigh it out

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

Names and synonyms

5 names
  • Thenyl mercaptan
  • 2-Thienylmethanethiol
  • 2-(Mercaptomethyl)thiophene
  • 2-Thienylmethyl mercaptan
  • (Thiophen-2-yl)methanethiol

Work with 2-Thiophenemethanethiol

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-Thiophenemethanamine27757-85-352 % similar 2-Thiophenemethanol636-72-652 % similar 2-Ethylthiophene872-55-952 % similar 2-Propylthiophene1551-27-548 % similar 2-Thiopheneethanamine30433-91-148 % similar 2-Thiopheneethanol5402-55-148 % similar 2-Thiopheneacetonitrile20893-30-546 % similar 2-Butylthiophene1455-20-545 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook