Basic information
- CAS
21988-64-7- Standard SMILES
CCOP(=O)(NCCSP(=O)(OC)OC)OCC- InChIKey
ZZIQWYMSVSLETQ-UHFFFAOYSA-N- Molecular formula
- C8H21NO6P2S
- Average molar mass
- 321.27 g/mol
- Monoisotopic mass
- 321.05648256
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl ester
- IUPAC
- N-diethoxyphosphoryl-2-dimethoxyphosphorylsulfanylethanamine
- English name
- Phosphorothioic acid S-[2-(diethoxyphosphinylamino)ethyl]O,O-dimethyl ester
- Molecular weight
- 0
Names & synonyms
21988-64-7Phosphorothioic acid, O,O-dimethyl S-(O',O'-diethylphosphoramido)ethyl esterDTXSID10176407RefChem:371379DTXCID5098898Phosphoramidic acid, N-(O',O'-dimethylphosphorothio)ethyl-, O,O-diethyl esterPhosphorothioic acid S-[2-(diethoxyphosphinylamino)ethyl]O,O-dimethyl esterPhosphoramidic acid, N-(O',O'-dimethylphosphorothio)ethyl-, O,O -diethyl esterS-{2-[(diethoxyphosphoryl)amino]ethyl} O,O-dimethyl phosphorothioate
Database identifiers
- CAS
21988-64-7- PubChem CID
- 89137
- DTXSID
DTXSID10176407- Nikkaji
- J50.468H
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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