2-Chloro-3-methylthiophene

C₅H₅ClSCAS 14345-97-2132.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅ClS
Molar mass: 132.61 g/mol
Exact mass: 131.9800 Da
Melting point: 153–157 °C
Boiling point: 53–54 °C (at 15 Torr)
logP: 2.71Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

14345-97-2

SMILES

Cc1ccsc1Cl

InChIKey

KQFADYXPELMVHE-UHFFFAOYSA-N

InChI

InChI=1S/C5H5ClS/c1-4-2-3-7-5(4)6/h2-3H,1H3

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

Names and synonyms

1 names

Thiophene, 2-chloro-3-methyl-

Work with 2-Chloro-3-methylthiophene

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

2,3-Dimethylthiophene632-16-650 % similar 2-Bromo-3-methylthiophene14282-76-946 % similar (3-Methyl-2-thienyl)methylamine104163-35-141 % similar B-(2-Chloro-3-thienyl)boronic acid177734-82-641 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-241 % similar 2-Acetyl-3-methylthiophene13679-72-639 % similar 3-Methyl-2-thiophenecarboxylic acid23806-24-838 % similar O-Xylene95-47-636 % similar

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

Same formula

2-chloromethylThiophene765-50-4

Elsewhere

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