Basic information
- CAS
65516-85-0- Standard SMILES
CSc1cc(C(F)(F)F)cc(SC)c1SC- InChIKey
FQGDLFLKJDPASE-UHFFFAOYSA-N- Molecular formula
- C10H11F3S3
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 283.99749836
Names & identifiers
- Preferred name
- 1,2,3-Tris(methylsulfanyl)-5-(trifluoromethyl)benzene
- IUPAC
- 1,2,3-tris(methylsulfanyl)-5-(trifluoromethyl)benzene
Names & synonyms
65516-85-01,2,3-Tris(methylsulfanyl)-5-(trifluoromethyl)benzene3,4,5-Tris(methylthio)benzotrifluoride(5-(Trifluoromethyl)benzene-1,2,3-triyl)tris(methylsulfane)1,2,3-tri(methylthio)-5-(trifluoromethyl)benzeneMaybridge1_003223HMS550K11DTXSID10334868FQGDLFLKJDPASE-UHFFFAOYSA-NCCG-242740CD 09130BRD-K17594723-001-01-2
Show more names
1,2,3-Tris(methylsulfanyl)-5-(trifluoromethyl)benzene #
Database identifiers
- CAS
65516-85-0- PubChem CID
- 522173
- DTXSID
DTXSID10334868
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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