chempirical

5-Chlorothiophene-2-carbonyl chloride

C5H2Cl2OSCAS 42518-98-9181.03 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
42518-98-9
SMILES
C1=C(SC(=C1)Cl)C(=O)Cl
InChIKey
BMPDCQVRKDNUAP-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl2OS/c6-4-2-1-3(9-4)5(7)8/h1-2H

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Work with 5-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

5-Chloro-2-thiophenecarboxylic acid24065-33-657 % similar 2-Acetyl-5-chlorothiophene6310-09-457 % similar 5-Chlorothiophene-2-carboxylic acid hydrazide351983-31-852 % similar Methyl 5-chlorothiophene-2-carboxylate35475-03-752 % similar 2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone57731-17-652 % similar Ethyl 5-chlorothiophene-2-carboxylate5751-82-647 % similar 2,5-Dichlorothiophene173777-89-446 % similar 2,5-Dichlorothiophene3172-52-946 % similar

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

Elsewhere

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