Basic information
- CAS
470-94-0- Standard SMILES
CCOP(=O)(OCC)SCCN(C)C.O=C(O)C(=O)O- InChIKey
PXPPTYPWWLDKPW-UHFFFAOYSA-N- Molecular formula
- C10H22NO7PS
- Average molar mass
- 331.33 g/mol
- Monoisotopic mass
- 331.08546021
Names & identifiers
- Preferred name
- Phosphorothioic acid, S-(2-(dimethylamino)ethyl) O,O-diethyl ester, ethanedioate (1:1)
- IUPAC
- 2-diethoxyphosphorylsulfanyl-N,N-dimethylethanamine;oxalic acid
Names & synonyms
470-94-0Phosphorothioic acid, S-(2-(dimethylamino)ethyl) O,O-diethyl ester, ethanedioate (1:1)Phosphorothioic acid, S-[2-(dimethylamino)ethyl] O,O-diethyl ester, ethanedioate (1:1)RefChem:1095522Diethoxy-(2-dimethylaminoethylthio)phosphine oxide oxalate2-diethoxyphosphorylsulfanyl-N,N-dimethylethanamine;oxalic acid217-AO2-Diethoxyphosphinylthioethyldimethylamine acid oxalateTHIOPHOSPHORIC ACID O,O'-DIETHYL ESTER-S-(2-DIMETHYLAMINO-ETHYL ESTER)orb1740264DTXSID40963721AO 217
Show more names
Phosphorothioic acid, O,O-diethyl-S-(2-(dimethylamino)ethyl)ester, oxalate217-AO, AO 217Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-dimethylaminoethanol, oxalateT69216Oxalic acid--S-[2-(dimethylamino)ethyl] O,O-diethyl phosphorothioate (1/1)
Database identifiers
- CAS
470-94-0- PubChem CID
- 68052
- DTXSID
DTXSID40963721
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…