Basic information
- CAS
56223-61-1- Standard SMILES
S=C1NN=CC(c2ccccc2)N1- InChIKey
UNXXYXYLEYDWCB-UHFFFAOYSA-N- Molecular formula
- C9H9N3S
- Average molar mass
- 191.26 g/mol
- Monoisotopic mass
- 191.05171847
Names & identifiers
- Preferred name
- as-Triazine-3(2H)-thione, 4,5-dihydro-5-phenyl-
- IUPAC
- 5-phenyl-4,5-dihydro-2H-1,2,4-triazine-3-thione
Names & synonyms
56223-61-1as-Triazine-3(2H)-thione, 4,5-dihydro-5-phenyl-RefChem:10772745-Phenyl-4,5-dihydro-as-triazine-3(2H)-thioneDTXSID509716505-Phenyl-2,5-dihydro-1,2,4-triazine-3-thiol
Database identifiers
- CAS
56223-61-1- PubChem CID
- 3043859
- DTXSID
DTXSID50971650- Nikkaji
- J92.282J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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