Basic information
- CAS
21738-25-0- Standard SMILES
CCOP(=O)(CC)SCCN(CC)CC- InChIKey
QXRUNSUMQBTCQS-UHFFFAOYSA-N- Molecular formula
- C10H24NO2PS
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.12653718
Names & identifiers
- Preferred name
- S-(2-(Diethylamino)ethyl) O-ethyl P-ethylphosphonothioate
- IUPAC
- 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine
- English name
- O,O-DIETHYL-S-[2-(DIETHYLAMINO)ETHYL]PHOSPHONOTHIOATE
- Molecular formula
- C10H24NO2PS
- Molecular weight
- 253.34
Names & synonyms
VE (nerve agent)21738-25-0DTXSID00893813VE [Nerve Agent]S-(2-(DIETHYLAMINO)ETHYL) O-ETHYL P-ETHYLPHOSPHONOTHIOATERefChem:1098216DTXCID801323859S-[2-(Diethylamino)ethyl] o-ethyl ethylphosphonothioateZKS86A93Y9S-(Diethylamino)ethyl O-ethyl ethylphosphonothioateO-Ethyl S-diethylaminoethyl ethylphosphonothioateO-Ethyl S-2-diethylaminoethyl ethylphosphonothiolate
Show more names
O-ETHYL-S-[2-(DIETHYLAMINO)ETHYL]PHOSPHONOTHIOATEO-Ethyl-S-diethylaminoethyl ethyl phosphonothiolatePhosphonothioic acid, P-ethyl-, S-[2-(diethylamino)ethyl] O-ethyl ester
Phosphonothioic acid, ethyl-, S-(2-(diethylamino)ethyl) O-ethyl esterUNII-ZKS86A93Y9SCHEMBL285198Q2068904O-Ethyl S-(2-diethylaminoethyl) ethylphosphonothiolateo-Ethyl S-2-(diethylamino)ethyl ethylphosphonothiolateO-ETHYL S-DIETHYLAMINOETHYL ETHYLPHOSPHONOTHIOLATEO,O-DIETHYL-S-[2-(DIETHYLAMINO)ETHYL]PHOSPHONOTHIOATE
Database identifiers
- CAS
21738-25-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- FDA UNII
- 86 A93Y9 · ZKS86A93Y9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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