Basic information
- CAS
16500-53-1- Standard SMILES
CCOP(=S)(OCC)SCC=C(F)C(F)F- InChIKey
KLQVWGXGRBVSHW-UHFFFAOYSA-N- Molecular formula
- C8H14F3O2PS2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.01249352
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester
- IUPAC
- diethoxy-sulfanylidene-(3,4,4-trifluorobut-2-enylsulfanyl)-λ5-phosphane
- English name
- Dithiophosphoric acid O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester
- Molecular formula
- C8H14F3O2PS2
- Molecular weight
- 294.29
Names & synonyms
Phosphorodithioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) esterRefChem:109544516500-53-1Stauffer R-8963R 8963ENT 27,370BRN 2456785AI3-27370DTXSID80937022O,O-Diethyl S-(3,4,4-trifluoro-3-butenyl) phosphorodithioateo,o-diethyl s-(3,4,4-trifluorobut-2-en-1-yl) phosphorodithioateR-8963
Show more names
Dithiophosphoric acid O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) esterPhosphorodithioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-buten-1-yl) ester
Database identifiers
- CAS
16500-53-1- PubChem CID
- 86019
- DTXSID
DTXSID80937022
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…