S-(2-(Diethylamino)ethyl) O-(2-methylpropyl) P-methylphosphonothioate
N,N-diethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine
Molecular Identity
S-(2-(Diethylamino)ethyl) O-(2-methylpropyl) P-methylphosphonothioate
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: CCN(CC)CCSP(=O)(C)OCC(C)CIsomeric SMILES
SMILES: CCN(CC)CCSP(=O)(C)OCC(C)CSynonyms(20)
159939-87-4RefChem:1098215S-(2-(Diethylamino)ethyl) O-(2-methylpropyl) P-methylphosphonothioateRussian VXR-VXVR nerve agentRussian-VXS-(N,N-DEA)IMPTR 33R-33VRLG34LSI9IURVXVR [chemical warfare agent]O-(iso-Butyl) S-(2-diethylaminoethyl) methylphosphonothiolate
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
S-(2-(Diethylamino)ethyl) O-(2-methylpropyl) P-methylphosphonothioate
Loading structure...
Drug Network
Trials and conditions connected to S-(2-(Diethylamino)ethyl) O-(2-methylpropyl) P-methylphosphonothioate
Loading drug network...