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Basic information
- CAS
4956-11-0- Standard SMILES
O=C1N=NC(Sc2ccccc2)C(=O)N1- InChIKey
XCHQMLGPNWTLHC-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2S
- Average molar mass
- 221.24 g/mol
- Monoisotopic mass
- 221.02589765
Names & identifiers
- Preferred name
- as-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-
- IUPAC
- 6-phenylsulfanyl-6H-1,2,4-triazine-3,5-dione
Names & synonyms
5-Phenylthio-6-azauracilNSC 107692BRN 07934226-(Phenylthio)-as-triazine-3,5(2H,4H)-dioneas-Triazine-3,5(2H,4H)-dione, 6-(phenylthio)-RefChem:3201964956-11-0
Database identifiers
- CAS
4956-11-0- PubChem CID
- 97245
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
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Compound notes
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