Basic information
- Standard SMILES
O=c1ncc(Cl)cn1CSc1ccc(Cl)cc1- InChIKey
CWGAFCGAEXBDNZ-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N2OS
- Average molar mass
- 287.2 g/mol
Names & identifiers
- Preferred name
- 1-(4-Chlorophenylsulfenyl)methyl-5-chloropyrimidin-2-one
- IUPAC
- 5-chloro-1-[(4-chlorophenyl)sulfanylmethyl]pyrimidin-2-one
Names & synonyms
SCHEMBL10738423CWGAFCGAEXBDNZ-UHFFFAOYSA-N1-(4-Chlorophenylsulfenyl)methyl-5-chloropyrimidin-2-one1-(4-chlorophenylsulphenyl) methyl-5-chloropyrimidin-2-one
Database identifiers
- PubChem CID
- 4295276
- Nikkaji
- J572.288H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
Related reactions
5 records
Compound notes
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