Found 12 results

Search term: MF = 'C_{17}H_{24}N_{3}O_{3}PS'
ChemSpider 2D Image | Diethyl {5-amino-3-cyclopropyl-1-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}phosphonate | C17H24N3O3PS

Diethyl {5-amino-3-cyclopropyl-1-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}phosphonate

  • Molecular FormulaC17H24N3O3PS
  • Average mass381.430 Da
  • Monoisotopic mass381.127594 Da
  • ChemSpider ID122674254

More details:

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

{5-Amino-3-cyclopropyl-1-[4-(méthylsulfanyl)phényl]-1H-pyrazol-4-yl}phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {5-amino-3-cyclopropyl-1-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}phosphonate [ACD/IUPAC Name]
Diethyl-{5-amino-3-cyclopropyl-1-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[5-amino-3-cyclopropyl-1-[4-(methylthio)phenyl]-1H-pyrazol-4-yl]-, diethyl ester [ACD/Index 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: 525.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.4±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.85
ACD/KOC (pH 5.5): 619.60
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.85
ACD/KOC (pH 7.4): 619.61
Polar Surface Area: 114 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 275.6±7.0 cm3

Click to predict properties on the Chemicalize site


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