Basic information
- Standard SMILES
O=C(c1ccccc1)c1cc(Cl)ccc1N=C=S- InChIKey
RKOZSWONNDQHJC-UHFFFAOYSA-N- Molecular formula
- C14H8ClNOS
- Average molar mass
- 273.74 g/mol
- Monoisotopic mass
- 273.00151256
Names & identifiers
- Preferred name
- Sbb012730
- IUPAC
- (5-chloro-2-isothiocyanatophenyl)-phenylmethanone
Names & synonyms
67862-72-0SBB012730DTXSID60409419RefChem:379917DTXCID40360271(5-chloro-2-isothiocyanatophenyl)(phenyl)methanoneMethanone, (5-chloro-2-isothiocyanatophenyl)phenyl-MFCD06809604(5-chloro-2-isothiocyanatophenyl)-phenylmethanone(5-Chloro-2-isothiocyanato-phenyl)-phenyl-methanone4-chloro-2-(phenylcarbonyl)benzenisothiocyanateC14H8ClNOS
Show more names
SCHEMBL11445577RKOZSWONNDQHJC-UHFFFAOYSA-NHTS30305SCA86272STK7851572-benzoyl-4-chlorophenylisothiocyanateAKOS004116346ST4128459
Database identifiers
- CAS
67862-72-0- PubChem CID
- 5200219
- DTXSID
DTXSID60409419
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Related reactions
15 records
Linked notes
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