chempirical

3-Chlorothiophene-2-carbonyl chloride

C5H2Cl2OSCAS 86427-02-3181.03 g/mol

Open in Covalent MOL file
SClOCl
Acyl halideAryl 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 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
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

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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

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