Basic information
- Standard SMILES
CSc1cc(F)c(Br)cc1C- InChIKey
QEMQNUCABDRWAQ-UHFFFAOYSA-N- Molecular formula
- C8H8BrFS
- Average molar mass
- 235.12 g/mol
- Monoisotopic mass
- 233.95141
Names & identifiers
- Preferred name
- (4-Bromo-5-fluoro-2-methylphenyl)(methyl)sulfane
- IUPAC
- 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene
Names & synonyms
SCHEMBL2597046QEMQNUCABDRWAQ-UHFFFAOYSA-N(4-bromo-5-fluoro-2-methylphenyl)(methyl)sulfane
Database identifiers
- PubChem CID
- 67469729
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Related reactions
1 records
Compound notes
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