Basic information
- Standard SMILES
CSc1c(F)cccc1Cl- InChIKey
ABGABTIFXYUHMD-UHFFFAOYSA-N- Molecular formula
- C7H6ClFS
- Average molar mass
- 176.64 g/mol
Names & identifiers
- Preferred name
- (2-Chloro-6-fluorophenyl)(methyl)sulfane
- IUPAC
- 1-chloro-3-fluoro-2-methylsulfanylbenzene
Names & synonyms
(2-Chloro-6-fluorophenyl)(methyl)sulfane159329-17-62-chloro-6-fluorothioanisoleSCHEMBL8388549ABGABTIFXYUHMD-UHFFFAOYSA-NMFCD34836463H69231
Database identifiers
- PubChem CID
- 53633719
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Related reactions
4 records
Compound notes
Loading…