ChemSpider 2D Image | 1-(3-Chloro-2-isopropoxyphenyl)-3-[2-(1H-1,2,3-triazol-5-ylsulfanyl)ethyl]urea | C14H18ClN5O2S

1-(3-Chloro-2-isopropoxyphenyl)-3-[2-(1H-1,2,3-triazol-5-ylsulfanyl)ethyl]urea

  • Molecular FormulaC14H18ClN5O2S
  • Average mass355.843 Da
  • Monoisotopic mass355.086975 Da
  • ChemSpider ID52585063

More details:

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

1-(3-Chlor-2-isopropoxyphenyl)-3-[2-(1H-1,2,3-triazol-5-ylsulfanyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-(3-Chloro-2-isopropoxyphenyl)-3-[2-(1H-1,2,3-triazol-5-ylsulfanyl)ethyl]urea [ACD/IUPAC Name]
1-(3-Chloro-2-isopropoxyphényl)-3-[2-(1H-1,2,3-triazol-5-ylsulfanyl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[3-chloro-2-(1-methylethoxy)phenyl]-N'-[2-(1H-1,2,3-triazol-5-ylthio)ethyl]- [ACD/Index Name]
N-(3-chloro-2-isopropoxyphenyl)-N'-[2-(1H-1,2,3-triazol-5-ylthio)ethyl]urea

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.0±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 101.91
ACD/KOC (pH 5.5): 951.40
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 70.30
ACD/KOC (pH 7.4): 656.35
Polar Surface Area: 117 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 257.5±5.0 cm3

Click to predict properties on the Chemicalize site


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