ethyl {[2-(diethylamino)ethyl]sulfanyl}(methyl)phosphinate

• ChemBase ID: 130166
• Molecular Formular: C9H22NO2PS
• Molecular Mass: 239.315241
• Monoisotopic Mass: 239.11088658
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl {[2-(diethylamino)ethyl]sulfanyl}(methyl)phosphinate
• IUPAC Traditional name: VM (nerve agent)
• Synonyms: VM (nerve agent)

Database IDs

• CAS Number: 21770-86-5
• PubChem SID: 162224450
• PubChem CID: 30800
• Chemspider ID: 28577
• Wikipedia Title: VM_(nerve_agent)

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.39398
• LogD (pH = 7.4): -1.3730416
• Log P: 1.1913048
• Molar Refractivity: 65.0168 cm^3
• Polarizability: 25.924168 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true