4(1H)-Pyrimidinone, 6-mercapto-2-phenyl-
Basic information
- CAS
42956-81-0- Standard SMILES
O=c1cc(S)nc(-c2ccccc2)[nH]1- InChIKey
YABNOHRGVLMORP-UHFFFAOYSA-N- Molecular formula
- C10H8N2OS
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.03573406
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 6-mercapto-2-phenyl-
- IUPAC
- 2-phenyl-4-sulfanyl-1H-pyrimidin-6-one
- English name
- 6-Mercapto-2-phenylpyrimidin-4(1H)-one
- Molecular formula
- C10H8N2OS
- Molecular weight
- 204.25
Names & synonyms
42956-81-04(1H)-Pyrimidinone, 6-mercapto-2-phenyl-6-Mercapto-2-phenylpyrimidin-4(1H)-oneDTXSID60346057YABNOHRGVLMORP-UHFFFAOYSA-N2-Phenyl-6-sulfanylpyrimidin-4(3H)-one2-Phenyl-6-sulfanyl-4(3H)-pyrimidinone #4(3H)-Pyrimidinone, 6-mercapto-2-phenyl-
Database identifiers
- CAS
42956-81-0- PubChem CID
- 609241
- DTXSID
DTXSID60346057- Nikkaji
- J139.756G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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