5-Chloro-3-thiophenecarbo...

C5H2ClNSCAS 1108712-56-6143.59 g/mol

Open in Covalent MOL file
SNCl
Aryl halideNitrile

Properties

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

Hazards

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

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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 2,6-Dichloroisonicotinonitrile32710-65-940 % similar 3,4-Dichlorobenzonitrile6574-99-839 % similar 3-Chlorobenzonitrile766-84-739 % similar 4-Chlorobenzonitrile623-03-038 % similar Chloroxynil1891-95-838 % similar 4-Amino-3,5-dichlorobenzonitrile78473-00-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-thiophenecarbonitrile50478-16-5

Elsewhere

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