5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
Basic information
- CAS
64273-23-0- Standard SMILES
O=C1NN=C(c2ccccc2)CS1- InChIKey
KSGZAADBLLQLIA-UHFFFAOYSA-N- Molecular formula
- C9H8N2OS
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.03573406
Names & identifiers
- Preferred name
- 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
- IUPAC
- 5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-one
Names & synonyms
64273-23-0NSC2982405-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-oneSCHEMBL1325249DTXSID80315922NSC-298240
Database identifiers
- CAS
64273-23-0- PubChem CID
- 326574
- DTXSID
DTXSID80315922
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…