Basic information
- CAS
91168-90-0- Standard SMILES
CCC(C)SP(=S)(OCC(F)(F)F)c1ccccc1- InChIKey
RWMJMUZYEOYMOE-UHFFFAOYSA-N- Molecular formula
- C12H16F3OPS2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.03322896
Names & identifiers
- Preferred name
- Butan-2-ylsulfanyl-phenyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane
- IUPAC
- butan-2-ylsulfanyl-phenyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
Names & synonyms
91168-90-0Butan-2-ylsulfanyl-phenyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphoraneDTXSID70919918S-(Butan-2-yl) O-(2,2,2-trifluoroethyl) phenylphosphonodithioateS-Butan-2-yl O-(2,2,2-trifluoroethyl) phenylphosphonodithioate
Database identifiers
- CAS
91168-90-0- PubChem CID
- 185086
- DTXSID
DTXSID70919918
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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