Phosphonothioic acid, ethyl-, O-ethyl ester, anhydride with O,O-diethylphosphorothioate
Basic information
- CAS
63815-52-1- Standard SMILES
CCOP(=S)(CC)OP(=S)(OCC)OCC- InChIKey
QVPJNZSBTABBQU-UHFFFAOYSA-N- Molecular formula
- C8H20O4P2S2
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.02782546
Names & identifiers
- Preferred name
- Phosphonothioic acid, ethyl-, O-ethyl ester, anhydride with O,O-diethylphosphorothioate
- IUPAC
- diethoxy-[ethoxy(ethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
- English name
- Phosphonothioic acid, ethyl-, O-ethyl ester, anhydride with O,O-diethy lphosphorothioate
- Molecular formula
- C8H20O4P2S2
- Molecular weight
- 306.32
Names & synonyms
63815-52-1Phosphonothioic acid, ethyl-, O-ethyl ester, anhydride with O,O-diethylphosphorothioateRefChem:1095259diethoxyphosphinothioyloxy-ethoxy-ethyl-thioxo-phosphoranediethoxy-[ethoxy(ethyl)phosphinothioyl]oxy-sulfanylidene-lambda5-phosphaneC8H20O4P2S2Phosphonothionic acid, ethyl-, monoethyl ester, anhydride with diethylphosphorothionateDTXSID301384846NSC74631MFCD28125819NSC 74631NSC-74631
Show more names
[(Diethoxyphosphinyl)thio]ethylphosphinothioic acid O-ethyl esterThioisohypophosphoric acid ((HO)2P(S)OP(S)H(OH)), ethyl-, triethyl ester (9CI)Phosphonothioic acid, ethyl-, O-ethyl ester, anhydride with O,O-diethy lphosphorothioate
diethoxy-[ethoxy(ethyl)phosphinothioyl]oxy-thioxo-lambda5-phosphaneThioisohypophosphoric acid ((HO)2P(S)OP(S)H(OH)), triethyl ester
Database identifiers
- CAS
63815-52-1- PubChem CID
- 96445
- DTXSID
DTXSID301384846
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 315.3 · 315.3±25.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
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Compound notes
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