Basic information
- CAS
23497-22-5- Standard SMILES
CCCOP(=O)(OCCC)SCCNP(=O)(OCC)OCC- InChIKey
PZCWOKOUJRPOLR-UHFFFAOYSA-N- Molecular formula
- C12H29NO6P2S
- Average molar mass
- 377.38 g/mol
- Monoisotopic mass
- 377.11908281
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dipropyl S-(O',O'-diethylphosphoramido)ethyl ester
- IUPAC
- N-diethoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
- English name
- Phosphorothioic acid S-[2-(diethoxyphosphinylamino)ethyl]O,O-dipropyl ester
- Molecular formula
- C12H29NO6P2S
- Molecular weight
- 377.37
Names & synonyms
23497-22-5Phosphorothioic acid, O,O-dipropyl S-(O',O'-diethylphosphoramido)ethyl esterPhosphoramidic acid, N-(O',O'-dipropylphosphorothio)ethyl-, O,O-diethyl esterRefChem:371387s-{2-[(diethoxyphosphoryl)amino]ethyl} o,o-dipropyl phosphorothioateDTXSID10946182Phosphorothioic acid S-[2-(diethoxyphosphinylamino)ethyl]O,O-dipropyl esterPhosphoramidic acid, (2-mercaptoethyl)-, diethyl ester, S-ester with O,O-dipropyl phosphorothioate (8CI)
Database identifiers
- CAS
23497-22-5- PubChem CID
- 90128
- DTXSID
DTXSID10946182- Nikkaji
- J50.477G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 424.1 · 424.1±55.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 0.02 · 0.02±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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