Basic information
- CAS
106119-76-0- Standard SMILES
O=Nn1c(=S)[nH]nc(-c2ccccc2)c1=O- InChIKey
IYILIMWLFKVXDF-UHFFFAOYSA-N- Molecular formula
- C9H6N4O2S
- Average molar mass
- 234.24 g/mol
- Monoisotopic mass
- 234.02114662
Names & identifiers
- Preferred name
- 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-4-nitroso-6-phenyl-3-thioxo-
- IUPAC
- 4-nitroso-6-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Names & synonyms
106119-76-01,2,4-Triazin-5(2H)-one, 3,4-dihydro-4-nitroso-6-phenyl-3-thioxo-DTXSID30463043RefChem:215008DTXCID904138624-nitroso-3-thio-6-phenyl-1,2,4-triazin-5-one4-nitroso-3-thioxo-6-phenyl-1,2,4-triazin-5(2h)-one4-Nitroso-6-phenyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Database identifiers
- CAS
106119-76-0- PubChem CID
- 11345331
- DTXSID
DTXSID30463043- Nikkaji
- J638.318A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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