3-Chlorothiophene-2-carbonyl chloride

C₅H₂Cl₂OSCAS 86427-02-3181.03 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₅H₂Cl₂OS
Molar mass: 181.03 g/mol
Exact mass: 179.9203 Da
logP: 2.78Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

86427-02-3

SMILES

C1=CSC(=C1Cl)C(=O)Cl

InChIKey

GCPHKTQMABHWPY-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Cl2OS/c6-3-1-2-9-4(3)5(7)8/h1-2H

Weigh it out

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

Work with 3-Chlorothiophene-2-carbonyl chloride

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

3-Chlorothiophene-2-carboxylic acid59337-89-258 % similar 3-Methylthiophene-2-carbonyl chloride61341-26-258 % similar Methyl 3-chlorothiophene-2-carboxylate88105-17-353 % similar 2,6-Dichlorobenzoyl chloride4659-45-447 % similar 2-Thiophenecarbonyl chloride5271-67-044 % similar 2-Chlorobenzoyl chloride609-65-444 % similar 3,4-Dichlorobenzoyl chloride3024-72-442 % similar 2,3-Dichlorothiophene17249-79-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chlorothiophene-2-carbonyl chloride42518-98-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook