ChemSpider 2D Image | S-{(Z)-2-[(4-Chlorophenyl)(isopropyl)amino]-2-hydroxyvinyl} O,O-dimethyl phosphorodithioate | C13H19ClNO3PS2

S-{(Z)-2-[(4-Chlorophenyl)(isopropyl)amino]-2-hydroxyvinyl} O,O-dimethyl phosphorodithioate

  • Molecular FormulaC13H19ClNO3PS2
  • Average mass367.852 Da
  • Monoisotopic mass367.023254 Da
  • ChemSpider ID95565660

More details:

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

Phosphorodithioate de S-{(Z)-2-[(4-chlorophényl)(isopropyl)amino]-2-hydroxyvinyle} et de O,O-diméthyle [French] [ACD/IUPAC Name]
Phosphorodithioic acid, S-[(Z)-2-[(4-chlorophenyl)(1-methylethyl)amino]-2-hydroxyethenyl] O,O-dimethyl ester [ACD/Index Name]
S-{(Z)-2-[(4-Chlorophenyl)(isopropyl)amino]-2-hydroxyvinyl} O,O-dimethyl phosphorodithioate [ACD/IUPAC Name]
S-{(Z)-2-[(4-Chlorphenyl)(isopropyl)amino]-2-hydroxyvinyl}-O,O-dimethylphosphorodithioat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 438.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 219.1±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 634.46
ACD/KOC (pH 5.5): 3526.22
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 547.24
ACD/KOC (pH 7.4): 3041.48
Polar Surface Area: 109 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 271.9±3.0 cm3

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