S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate
Basic information
- CAS
21770-86-5- Standard SMILES
CCOP(C)(=O)SCCN(CC)CC- InChIKey
BKWMHKJLXIRTAI-UHFFFAOYSA-N- Molecular formula
- C9H22NO2PS
- Average molar mass
- 239.32 g/mol
- Monoisotopic mass
- 239.11088712
Names & identifiers
- Preferred name
- S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate
- IUPAC
- 2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine
- English name
- O-Ethyl-S-[2-(diethylamino)ethyl]methylphosphonothiate
- Molecular formula
- C9H22NO2PS
- Molecular weight
- 239.32
Names & synonyms
21770-86-52XM5EU7NUM2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine2-(ethoxy(methyl)phosphoryl)sulfanyl-N,N-diethylethanamineS-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioateS-[2-(Diethylamino)ethyl] O-ethyl P-methylphosphonothioateRefChem:1098217EdemoEdemo 3S-2-Diethylaminoethyl-O-ethylester kyseliny methylthiofosfonovePhosphonothioic acid, methyl-, S-(2-(diethylamino)ethyl) O-ethyl esterS-[2-(Diethylamino)ethyl] o-ethyl methylphosphonothioate
Show more names
Phosphonothioic acid, P-methyl-, S-[2-(diethylamino)ethyl] O-ethyl ester
O-ETHYL-S-[2-(DIETHYLAMINO)ETHYL]METHYLPHOSPHONOTHIATEVM (nerve agent)BRN 2251003UNII-2XM5EU7NUMSCHEMBL955878DTXSID40865014ethyl {[2-(diethylamino)ethyl]sulfanyl}(methyl)phosphinateS-2-Diethylaminoethyl-O-ethylester kyseliny methylthiofosfonove [Czech]
Database identifiers
- CAS
21770-86-5- PubChem CID
- 30800
- DTXSID
DTXSID40865014- UNII
- 2XM5EU7NUM
- Nikkaji
- J1.610.079J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- FDA UNII
- 2 XM5EU7NUM · 2XM5EU7NUM
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 50ug/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 50ug/kg
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Compound notes
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