ChemSpider 2D Image | 1-(3-Chloro-4-ethoxyphenyl)-3-{2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethyl}urea | C14H18ClN5O2S

1-(3-Chloro-4-ethoxyphenyl)-3-{2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethyl}urea

  • Molecular FormulaC14H18ClN5O2S
  • Average mass355.843 Da
  • Monoisotopic mass355.086975 Da
  • ChemSpider ID30941038

More details:

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

1-(3-Chlor-4-ethoxyphenyl)-3-{2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethyl}harnstoff [German] [ACD/IUPAC Name]
1-(3-Chloro-4-ethoxyphenyl)-3-{2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethyl}urea [ACD/IUPAC Name]
1-(3-Chloro-4-éthoxyphényl)-3-{2-[(3-méthyl-1H-1,2,4-triazol-5-yl)sulfanyl]éthyl}urée [French] [ACD/IUPAC Name]
Urea, N-(3-chloro-4-ethoxyphenyl)-N'-[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]ethyl]- [ACD/Index Name]
N-(3-chloro-4-ethoxyphenyl)-N'-{2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 90.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 74.16
ACD/KOC (pH 5.5): 758.87
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.46
ACD/KOC (pH 7.4): 751.68
Polar Surface Area: 117 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 256.4±5.0 cm3

Click to predict properties on the Chemicalize site


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