3-Methylthiophene-2-carbonyl chloride

C₆H₅ClOSCAS 61341-26-2160.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅ClOS
Molar mass: 160.61 g/mol
Exact mass: 159.9750 Da
logP: 2.44Crippen 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 44 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

61341-26-2

SMILES

CC1=C(SC=C1)C(=O)Cl

InChIKey

AJSVPEVDFBYRCH-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClOS/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3

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Names and synonyms

1 names

3-Methyl-2-thenoyl Chloride

Work with 3-Methylthiophene-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

2-Acetyl-3-methylthiophene13679-72-658 % similar 3-Chlorothiophene-2-carbonyl chloride86427-02-358 % similar 3-Methyl-2-thiophenecarboxylic acid23806-24-856 % similar Methyl 3-methylthiophene-2-carboxylate81452-54-253 % similar 2-Methylbenzoyl chloride933-88-045 % similar 3,4-Dimethylbenzoyl chloride21900-23-244 % similar 4-Bromo-3-methylthiophene-2-carbonyl chloride265652-36-643 % similar 2-Thiophenecarbonyl chloride5271-67-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Acetyl-4-chlorothiophene34730-20-6 2-Thiopheneacetyl chloride39098-97-0 2-Acetyl-5-chlorothiophene6310-09-4

Elsewhere

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