Ketothion
Basic information
- CAS
995-30-2- Standard SMILES
CCOP(=S)(OCC)SCC(C)=O- InChIKey
OPSAUVQHNICVGJ-UHFFFAOYSA-N- Molecular formula
- C7H15O3PS2
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.02002368
Names & identifiers
- Preferred name
- Ketothion
- IUPAC
- 1-diethoxyphosphinothioylsulfanylpropan-2-one
- English name
- Dithiophosphoric acid O,O-diethyl S-acetonyl ester
- Molecular formula
- C7H15O3PS2
- Molecular weight
- 242.3
Names & synonyms
KetothionO,O-Diethyl S-acetonyl phosphorodithioateBRN 1911205995-30-2Phosphorodithioic acid, O,O-diethyl S-acetonyl esterDTXSID70244090RefChem:350503DTXCID70166581o,o-diethyl s-(2-oxopropyl) phosphorodithioateO,O-diethyl S-(2-oxopropyl) dithiophosphateDithiophosphoric acid O,O-diethyl S-acetonyl esterPhosphorodithioic acid, O,O-diethyl S-(2-oxopropyl) ester
Show more names
dithiophosphoric acid O,O'-diethyl ester S-(2-oxo-propyl) ester
Database identifiers
- CAS
995-30-2- PubChem CID
- 120944
- DTXSID
DTXSID70244090- Nikkaji
- J7.214A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 286.9 · 286.9±42.0 °C(Predicted)
- Density
- 1.1958 g/cm3 · 1.1958 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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