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21770-86-5 molecular structure
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ethyl {[2-(diethylamino)ethyl]sulfanyl}(methyl)phosphinate

ChemBase ID: 130166
Molecular Formular: C9H22NO2PS
Molecular Mass: 239.315241
Monoisotopic Mass: 239.11088658
SMILES and InChIs

SMILES:
O=P(OCC)(SCCN(CC)CC)C
Canonical SMILES:
CCOP(=O)(SCCN(CC)CC)C
InChI:
InChI=1S/C9H22NO2PS/c1-5-10(6-2)8-9-14-13(4,11)12-7-3/h5-9H2,1-4H3
InChIKey:
BKWMHKJLXIRTAI-UHFFFAOYSA-N

Cite this record

CBID:130166 http://www.chembase.cn/molecule-130166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl {[2-(diethylamino)ethyl]sulfanyl}(methyl)phosphinate
IUPAC Traditional name
VM (nerve agent)
Synonyms
VM (nerve agent)
CAS Number
21770-86-5
PubChem SID
162224450
PubChem CID
30800
Chemspider ID
28577
Wikipedia Title
VM_(nerve_agent)

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.39398  LogD (pH = 7.4) -1.3730416 
Log P 1.1913048  Molar Refractivity 65.0168 cm3
Polarizability 25.924168 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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