Basic information
- Standard SMILES
N#Cc1cn(-c2ccccc2)c(=O)n(SC(Cl)(Cl)Cl)c1=O- InChIKey
NCCIZJKHEZUECK-UHFFFAOYSA-N- Molecular formula
- C12H6Cl3N3O2S
- Average molar mass
- 362.6 g/mol
Names & identifiers
- Preferred name
- 5-Cyano-3-trichloromethanesulfenyl-1-phenyluracil
- IUPAC
- 2,4-dioxo-1-phenyl-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL11272953NCCIZJKHEZUECK-UHFFFAOYSA-N5-cyano-3-trichloromethanesulfenyl-1-phenyluracil5-cyano-1-phenyl-3-trichloromethane sulphenyl uracil
Database identifiers
- PubChem CID
- 20519632
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 532
Related reactions
3 records
Compound notes
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