Basic information
- CAS
23497-23-6- Standard SMILES
CCCOP(=O)(NCCSP(=O)(OCCC)OCCC)OCCC- InChIKey
XCKLLXVLRBVDKH-UHFFFAOYSA-N- Molecular formula
- C14H33NO6P2S
- Average molar mass
- 405.43 g/mol
- Monoisotopic mass
- 405.15038294
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl ester
- IUPAC
- N-dipropoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
- English name
- Phosphorothioic acid S-[2-(dipropoxyphosphinylamino)ethyl]O,O-dipropyl ester
- Molecular formula
- C14H33NO6P2S
- Molecular weight
- 405.43
Names & synonyms
23497-23-6BRN 2162324Phosphoramidic acid, N-(O',O'-dipropylphosphorothio)ethyl-, O,O-dipropyl esterPhosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl esterRefChem:371389s-{2-[(dipropoxyphosphoryl)amino]ethyl} o,o-dipropyl phosphorothioateDTXSID70946183Phosphorothioic acid S-[2-(dipropoxyphosphinylamino)ethyl]O,O-dipropyl esterPhosphoramidic acid, (2-mercaptoethyl)-, dipropyl ester, S-ester with O,O-dipropyl phosphorothioate (8CI)
Database identifiers
- CAS
23497-23-6- PubChem CID
- 90129
- DTXSID
DTXSID70946183- Nikkaji
- J50.479C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 450.9 · 450.9±55.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- pka
- -0.36 · -0.36±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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