159939-87-4
N,N-diethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine
Molecular Identity
159939-87-4
N,N-diethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine
PubChem CID: 178033
VR nerve agent is a organic thiophosphate that is the isobutyl ester of S-[2-(diethylamino)ethyl] O hydrogen methylphosphonothioate. A toxic nerve agent developed by the former Soviet Union. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a neurotoxin. It is an organic thiophosphate and a tertiary amino compound.
2D Structure
Properties
C11H26NO2PS
Molecular Formula
267.37
Molecular Weight
g/mol
267.1422
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
54.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
220
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
159939-87-4RefChem:1098215S-(2-(Diethylamino)ethyl) O-(2-methylpropyl) P-methylphosphonothioateRussian VXR-VXVR nerve agentRussian-VXS-(N,N-DEA)IMPTR 33R-33VRLG34LSI9IUN,N-diethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamineo-isobutyls-(2-(diethylamino)ethyl)methylphosphonothioateRVX
Data from PubChem (NCBI)
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