Basic information
- CAS
22454-80-4- Standard SMILES
S=c1scc(-c2ccccc2)n1N=Cc1ccccc1- InChIKey
BIAGXFVBJBNHOR-UHFFFAOYSA-N- Molecular formula
- C16H12N2S2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.04419074
Names & identifiers
- Preferred name
- 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione
- IUPAC
- 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2-thione
Names & synonyms
3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thioneSCHEMBL1877102DTXSID30945137
Database identifiers
- CAS
22454-80-4- PubChem CID
- 90786
- DTXSID
DTXSID30945137
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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