Basic information
- CAS
421-16-9- Standard SMILES
CSC(F)(F)F- InChIKey
VRSDIWXVAUOVEA-UHFFFAOYSA-N- Molecular formula
- C2H3F3S
- Average molar mass
- 116.11 g/mol
- Monoisotopic mass
- 115.99075576
Names & identifiers
- Preferred name
- Methyl(trifluoromethyl) sulfide
- IUPAC
- trifluoro(methylsulfanyl)methane
Names & synonyms
Methyl(trifluoromethyl) sulfide421-16-9DTXSID80194936RefChem:356944DTXCID20117427trifluoro(methylsulfanyl)methaneSCHEMBL246087SCHEMBL246088VRSDIWXVAUOVEA-UHFFFAOYSA-N
Database identifiers
- CAS
421-16-9- PubChem CID
- 136263
- DTXSID
DTXSID80194936- Nikkaji
- J619.050B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 38.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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