Basic information
- CAS
32331-03-6- Standard SMILES
NNc1nc(=O)[nH]nc1Sc1ccccc1- InChIKey
ICOJIYMJJGPAIK-UHFFFAOYSA-N- Molecular formula
- C9H9N5OS
- Average molar mass
- 235.27 g/mol
- Monoisotopic mass
- 235.0527811
Names & identifiers
- Preferred name
- 5-Hydrazinyl-6-(phenylsulfanyl)-1,2,4-triazin-3(2h)-one
- IUPAC
- 5-hydrazinyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
Names & synonyms
32331-03-65-hydrazinyl-6-(phenylsulfanyl)-1,2,4-triazin-3(2h)-oneNSC134061DTXSID60299978NSC-134061
Database identifiers
- CAS
32331-03-6- PubChem CID
- 281306
- DTXSID
DTXSID60299978
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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