5-Chloro-3-phenyl-4-isothiazolecarbonitrile
Basic information
- CAS
19363-60-1- Standard SMILES
N#Cc1c(-c2ccccc2)nsc1Cl- InChIKey
XVZHEHJRVLCBAM-UHFFFAOYSA-N- Molecular formula
- C10H5ClN2S
- Average molar mass
- 220.68 g/mol
- Monoisotopic mass
- 219.986197
Names & identifiers
- Preferred name
- 5-Chloro-3-phenyl-4-isothiazolecarbonitrile
- IUPAC
- 5-chloro-3-phenyl-1,2-thiazole-4-carbonitrile
- English name
- 5-Chloro-3-phenyl-4-isothiazolecarbonitrile
- Molecular formula
- C10H5ClN2S
- Molecular weight
- 220.68
Names & synonyms
5-Chloro-3-phenyl-4-isothiazolecarbonitrile5-chloro-3-phenyl-1,2-thiazole-4-carbonitrile19363-60-15-Chloro-3-phenylisothiazole-4-carbonitrile4-Isothiazolecarbonitrile, 5-chloro-3-phenyl-DTXSID20333589XVZHEHJRVLCBAM-UHFFFAOYSA-N5-chloro-3-phenyl-isothiazole-4-carbonitrile5-CHLORO-4-CYANO-3-PHENYLISOTHIAZOLE5-Chloro-3-phenyl-4-isothiazolecarbonitrile #Q63396019
Database identifiers
- CAS
19363-60-1- PubChem CID
- 512959
- DTXSID
DTXSID20333589- Nikkaji
- J47.269G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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