ChemSpider 2D Image | Methyl (1Z)-2-{[methoxy(sulfanyl)phosphorothioyl]oxy}-N-methylethanimidate | C5H12NO3PS2

Methyl (1Z)-2-{[methoxy(sulfanyl)phosphorothioyl]oxy}-N-methylethanimidate

  • Molecular FormulaC5H12NO3PS2
  • Average mass229.257 Da
  • Monoisotopic mass228.999619 Da
  • ChemSpider ID24541203

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1Z)-2-{[Méthoxy(sulfanyl)phosphorothioyl]oxy}-N-méthyléthanimidate de méthyle [French] [ACD/IUPAC Name]
Ethanimidic acid, 2-[(mercaptomethoxyphosphinothioyl)oxy]-N-methyl-, methyl ester, (1Z)- [ACD/Index Name]
Methyl (1Z)-2-{[methoxy(sulfanyl)phosphorothioyl]oxy}-N-methylethanimidate [ACD/IUPAC Name]
Methyl-(1Z)-2-{[methoxy(sulfanyl)phosphorothioyl]oxy}-N-methylethanimidat [German] [ACD/IUPAC Name]
((2Z)-2-methoxy-3-azabut-2-enyloxy)methoxyphosphinosulfanyl-1-thione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 291.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 129.9±21.5 °C
Index of Refraction: 1.536
Molar Refractivity: 53.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 172.4±7.0 cm3

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