4(1H)-Pyrimidinone, 2-chloro-6-(phenylthio)-
Basic information
- CAS
284682-02-6- Standard SMILES
O=c1cc(Sc2ccccc2)nc(Cl)[nH]1- InChIKey
NLHUQZLBFOETOO-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2OS
- Average molar mass
- 238.69 g/mol
- Monoisotopic mass
- 237.9967617
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-chloro-6-(phenylthio)-
- IUPAC
- 2-chloro-4-phenylsulfanyl-1H-pyrimidin-6-one
Names & synonyms
284682-02-64(1H)-Pyrimidinone, 2-chloro-6-(phenylthio)-2-Chloro-6-(phenylthio)pyrimidin-4(1H)-one2-Chloro-6-phenylsulfanyl-3H-pyrimidin-4-one2-chloro-4-phenylsulfanyl-1H-pyrimidin-6-one2-chloro-6-(phenylsulfanyl)pyrimidin-4(3h)-oneDTXSID10182700
Database identifiers
- CAS
284682-02-6- PubChem CID
- 478083
- DTXSID
DTXSID10182700- Nikkaji
- J1.320.154D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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