chempirical

3-Methylthiophene-2-carbonyl chloride

C6H5ClOSCAS 61341-26-2160.61 g/mol

Open in Covalent MOL file
SOCl
Acyl halide

Properties

Molecular formula
C6H5ClOS
Molar mass
160.61 g/mol
Exact mass
159.9750 Da
logP
2.44Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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