S-[2-(Diethylamino)ethyl] O-(2-methylpropyl) P-methylphosphonothioate
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![S-[2-(Diethylamino)ethyl] O-(2-methylpropyl) P-methylphosphonothioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9b990b8f139f40c089b987ca1a18d20b.png "S-[2-(Diethylamino)ethyl] O-(2-methylpropyl) P-methylphosphonothioate")
S-[2-(Diethylamino)ethyl] O-(2-methylpropyl) P-methylphosphonothioate
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CAS No:
159939-87-4
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Formula:
C11H26NO2PS
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Chemical Name:
S-[2-(Diethylamino)ethyl] O-(2-methylpropyl) P-methylphosphonothioate
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Synonyms:
Phosphonothioic acid,P-methyl-,S-[2-(diethylamino)ethyl] O-(2-methylpropyl) ester;Phosphonothioic acid,methyl-,S-[2-(diethylamino)ethyl] O-(2-methylpropyl) ester;S-[2-(Diethylamino)ethyl] O-(2-methylpropyl) P-methylphosphonothioate;VR;VR (chemical warfare agent);Russian VX;R-VX;R 33;O-Isobutyl S-2-(N,N-diethylamino)ethyl methylthiophosphonate;VR (nerve agent);130124-54-8
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CAS No:
Description
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 a neurotoxin and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is an organic thiophosphate and a tertiary amino compound.
S-[2-(Diethylamino)ethyl] O-(2-methylpropyl) P-methylphosphonothioate Basic Attributes
267.37 g/mol
267.37
Computed Properties
Molecular Weight:267.37
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:267.14218724
Monoisotopic Mass:267.14218724
Topological Polar Surface Area:54.8
Heavy Atom Count:16
Complexity:220
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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