5,6-Bis(4-chlorophenyl)-1,2,4-triazine-3(2H)-thione
Basic information
- CAS
88300-12-3- Standard SMILES
S=c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n[nH]1- InChIKey
LKNWZOVLHNNXIK-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2N3S
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 332.9894239
Names & identifiers
- Preferred name
- 5,6-Bis(4-chlorophenyl)-1,2,4-triazine-3(2H)-thione
- IUPAC
- 5,6-bis(4-chlorophenyl)-2H-1,2,4-triazine-3-thione
Names & synonyms
88300-12-35,6-Bis(4-chlorophenyl)-1,2,4-triazine-3(2H)-thioneCHEMBL2424667SCHEMBL10811365DTXSID20632923SR-01000554273SR-01000554273-1
Database identifiers
- CAS
88300-12-3- PubChem CID
- 23323950
- DTXSID
DTXSID20632923- ChEMBL
CHEMBL2424667
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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