Basic information
- Standard SMILES
Cc1cc(Br)cc(C)c1Sc1nc(Cl)nc(C)c1[N+](=O)[O-]- InChIKey
KGQSLZDZLVUEGJ-UHFFFAOYSA-N- Molecular formula
- C13H11BrClN3O2S
- Average molar mass
- 388.67 g/mol
- Monoisotopic mass
- 386.94439
Names & identifiers
- Preferred name
- 4-(4-Bromo-2,6-dimethylphenylthio)-2-chloro-6-methyl-5-nitropyrimidine
- IUPAC
- 4-(4-bromo-2,6-dimethylphenyl)sulfanyl-2-chloro-6-methyl-5-nitropyrimidine
Names & synonyms
SCHEMBL3827452KGQSLZDZLVUEGJ-UHFFFAOYSA-N4-(4-bromo-2,6-dimethylphenylthio)-2-chloro-6-methyl-5-nitropyrimidine
Database identifiers
- PubChem CID
- 57747345
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
6 records
Compound notes
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