chempirical

3-Chlorothiophene

C4H3ClSCAS 17249-80-8118.58 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
−62 °C
Boiling point
136–137 °C
logP
2.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
17249-80-8
SMILES
Clc1ccsc1
InChIKey
QUBJDMPBDURTJT-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3H

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

Names and synonyms

1 names
  • Thiophene, 3-chloro-

Work with 3-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

3-Iodothiophene10486-61-039 % similar 3-Phenylthiophene2404-87-736 % similar 3-Thiophenecarbonyl chloride41507-35-136 % similar 3-Thiophenecarbonitrile1641-09-435 % similar 3-Methoxythiophene17573-92-135 % similar 3-Ethylthiophene1795-01-335 % similar 3-Thiophenemethanamine27757-86-435 % similar 3-Thienylboronic acid6165-69-135 % similar

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

Same formula

2-Chlorothiophene96-43-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook