Basic information
- Standard SMILES
CCSc1cc(Br)cc(C(F)(F)F)c1- InChIKey
WTQQCKHSLRUWNS-UHFFFAOYSA-N- Molecular formula
- C9H8BrF3S
- Average molar mass
- 285.13 g/mol
- Monoisotopic mass
- 283.94822
Names & identifiers
- Preferred name
- (3-Bromo-5-(trifluoromethyl)phenyl)(ethyl)sulfane
- IUPAC
- 1-bromo-3-ethylsulfanyl-5-(trifluoromethyl)benzene
Names & synonyms
(3-bromo-5-(trifluoromethyl)phenyl)(ethyl)sulfane849934-81-2SCHEMBL2386373MFCD22483754H653531-bromo-3-ethylsulfanyl-5-trifluoromethyl-benzene
Database identifiers
- PubChem CID
- 67388495
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Related reactions
2 records
Compound notes
Loading…