ChemSpider 2D Image | 1-[2-(3-Fluorophenyl)ethyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea | C23H20FN3S2

1-[2-(3-Fluorophenyl)ethyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea

  • Molecular FormulaC23H20FN3S2
  • Average mass421.553 Da
  • Monoisotopic mass421.108276 Da
  • ChemSpider ID60418216

More details:

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

1-[2-(3-Fluorophenyl)ethyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea [ACD/IUPAC Name]
1-[2-(3-Fluorophényl)éthyl]-3-[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]thiourée [French] [ACD/IUPAC Name]
1-[2-(3-Fluorphenyl)ethyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
Thiourea, N-[2-(3-fluorophenyl)ethyl]-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: 1.3±0.1 g/cm3
Boiling Point: 573.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.9±32.9 °C
Index of Refraction: 1.707
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11409.58
ACD/KOC (pH 5.5): 27910.98
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11409.39
ACD/KOC (pH 7.4): 27910.52
Polar Surface Area: 97 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 319.0±3.0 cm3

Click to predict properties on the Chemicalize site


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