ChemSpider 2D Image | 1-(4-Iodophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea | C21H16IN3OS

1-(4-Iodophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea

  • Molecular FormulaC21H16IN3OS
  • Average mass485.341 Da
  • Monoisotopic mass485.005859 Da
  • ChemSpider ID60387688

More details:

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

1-(4-Iodophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea [ACD/IUPAC Name]
1-(4-Iodophényl)-3-[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]urée [French] [ACD/IUPAC Name]
1-(4-Iodphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-(4-iodophenyl)-N'-[4-(6-methyl-2-benzothiazolyl)phenyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.779
Molar Refractivity: 121.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26408.10
ACD/KOC (pH 5.5): 50890.91
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26411.90
ACD/KOC (pH 7.4): 50898.23
Polar Surface Area: 82 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 290.3±3.0 cm3

Click to predict properties on the Chemicalize site


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