chempirical

2-Chlorothiophene

C4H3ClSCAS 96-43-5118.58 g/mol

Open in Covalent MOL file
ClS
Aryl halide

Properties

Molecular formula
C4H3ClS
Molar mass
118.58 g/mol
Exact mass
117.9644 Da
Melting point
−71.9 °C
Boiling point
128.3 °C
logP
2.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
96-43-5
SMILES
Clc1cccs1
InChIKey
GSFNQBFZFXUTBN-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Thiophene, 2-chloro-
  • 2-Thienyl chloride
  • NSC 8747

Work with 2-Chlorothiophene

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'-Bithiophene492-97-745 % similar 2,5-Dichlorothiophene3172-52-940 % similar Tris(2-thienyl)phosphine24171-89-939 % similar 2-Methylthiophene554-14-339 % similar 2,2′-Dithiobis[thiophene]6911-51-939 % similar Terthiophene1081-34-138 % similar 2-Phenylthiophene825-55-836 % similar 2-Thiophenesulfonyl chloride16629-19-936 % similar

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

Same formula

3-Chlorothiophene17249-80-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook