Basic information
- CAS
21988-55-6- Standard SMILES
CCOP(=O)(NCCSP(=O)(OC)OCC)OCC- InChIKey
MOUBNLCEQKFOLO-UHFFFAOYSA-N- Molecular formula
- C9H23NO6P2S
- Average molar mass
- 335.3 g/mol
- Monoisotopic mass
- 335.07213262
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-ethyl O-methyl S-(O',O'-diethylphosphoramido)ethyl ester
- IUPAC
- N-diethoxyphosphoryl-2-[ethoxy(methoxy)phosphoryl]sulfanylethanamine
- English name
- Phosphorothioic acid S-[2-(diethoxyphosphinylamino)ethyl]O-ethyl O-methyl ester
- Molecular formula
- C9H23NO6P2S
- Molecular weight
- 335.29
Names & synonyms
21988-55-6O-Ethyl O-methyl S-(O',O'-diethylphosphoramido)ethyl phosphorothioatePhosphorothioic acid, O-ethyl O-methyl S-(O',O'-diethylphosphoramido)ethyl esterRefChem:371433s-{2-[(diethoxyphosphoryl)amino]ethyl} o-ethyl o-methyl phosphorothioateDTXSID90944580Phosphorothioic acid S-[2-(diethoxyphosphinylamino)ethyl]O-ethyl O-methyl esterPhosphorothioic acid, S-[2-[(diethoxyphosphinyl)amino]ethyl] O-ethyl O-methyl ester (9CI)
Database identifiers
- CAS
21988-55-6- PubChem CID
- 89131
- DTXSID
DTXSID90944580- Nikkaji
- J50.485H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 381.8 · 381.8±52.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 0 · 0.00±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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