5-Chloro-3-thiophenecarbo...

C₅H₂ClNSCAS 1108712-56-6143.59 g/mol

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Aryl halide Nitrile

Properties

Molecular formula: C₅H₂ClNS
Molar mass: 143.59 g/mol
Exact mass: 142.9596 Da
logP: 2.27Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1108712-56-6

SMILES

C1=C(SC=C1C#N)Cl

InChIKey

BBGRLEJFPILYFH-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClNS/c6-5-1-4(2-7)3-8-5/h1,3H

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Names and synonyms

1 names

5-Chlorothiophene-3-carbonitrile

Work with 5-Chloro-3-thiophenecarbo...

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

3,5-Dichlorobenzonitrile6575-00-443 % similar Isophthalonitrile626-17-541 % similar 3,4-Dichlorobenzonitrile6574-99-839 % similar 3-Chlorobenzonitrile766-84-739 % similar 4-Chlorobenzonitrile623-03-038 % similar 4-Amino-3,5-dichlorobenzonitrile78473-00-438 % similar 3-Thiophenecarbonitrile1641-09-437 % similar 1,4-Dicyanobenzene623-26-736 % similar

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

Elsewhere

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