chempirical

2-chloromethylThiophene

C5H5ClSCAS 765-50-4132.60 g/mol

Open in Covalent MOL file
ClS
Alkyl halide

Properties

Molecular formula
C5H5ClS
Molar mass
132.60 g/mol
Exact mass
131.9800 Da
Boiling point
80–81 °C (at 18 Torr)
logP
2.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
765-50-4
SMILES
ClCc1cccs1
InChIKey
FUOHKPSBGLXIRL-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClS/c6-4-5-2-1-3-7-5/h1-3H,4H2

Weigh it out

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

Names and synonyms

6 names
  • 2-(Chloromethyl)thiophene
  • Thiophene, 2-(chloromethyl)-
  • Thenyl chloride
  • 2-Thenyl chloride
  • 2-Thienylmethyl chloride
  • 2-Thiophenemethyl chloride

Work with 2-chloromethylThiophene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Thiophenemethanamine27757-85-352 % similar 2-Thiophenemethanethiol6258-63-552 % 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-Thiopheneacetyl chloride39098-97-047 % similar

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

Same formula

2-Chloro-3-methylthiophene14345-97-2 2-Chloro-5-methylthiophene17249-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook