Basic information
- CAS
16499-75-5- Standard SMILES
CCOP(=O)(OCC)SCCC(F)=C(F)F- InChIKey
NGRGWVSHDRFOEW-UHFFFAOYSA-N- Molecular formula
- C8H14F3O3PS
- Average molar mass
- 278.23 g/mol
- Monoisotopic mass
- 278.03533696
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester
- IUPAC
- 4-diethoxyphosphorylsulfanyl-1,1,2-trifluorobut-1-ene
- English name
- Thiophosphoric acid O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester
- Molecular formula
- C8H14F3O3PS
- Molecular weight
- 278.23
Names & synonyms
16499-75-5Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) esterDTXSID90167833RefChem:1095481DTXCID6090324Stauffer R-11898ENT 27,3714-diethoxyphosphorylsulfanyl-1,1,2-trifluorobut-1-eneR 11898AI3-27371O,O-Diethyl S-(3,4,4-trifluoro-3-butenyl) phosphorothioateThiophosphoric acid O,O-diethyl S-(3,4,4-trifluoro-3-butenyl) ester
Show more names
R-11898ENT-27371NSC-190966Phosphorothioic acid, O,O-diethyl S-(3,4,4-trifluoro-3-buten-1-yl) ester
O,O-Diethyl S-(3,4,4-trifluorobut-3-en-1-yl) phosphorothioate
Database identifiers
- CAS
16499-75-5- PubChem CID
- 204501
- DTXSID
DTXSID90167833- Nikkaji
- J60.494A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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