Basic information
- Standard SMILES
CSc1nccc(C(=O)c2cccc(C)c2Br)n1- InChIKey
ACWRRKVJBRWKGI-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2OS
- Average molar mass
- 323.21 g/mol
Names & identifiers
- Preferred name
- (2-Bromo-3-methylphenyl)(2-(methylthio)pyrimidin-4-yl)methanone
- IUPAC
- (2-bromo-3-methylphenyl)-(2-methylsulfanylpyrimidin-4-yl)methanone
Names & synonyms
SCHEMBL2227380ACWRRKVJBRWKGI-UHFFFAOYSA-N(2-bromo-3-methylphenyl)(2-(methylthio)pyrimidin-4-yl)methanone
Database identifiers
- PubChem CID
- 67325293
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
2 records
Compound notes
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