ChemSpider 2D Image | 1-Cycloheptyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea | C22H25N3S2

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

  • Molecular FormulaC22H25N3S2
  • Average mass395.584 Da
  • Monoisotopic mass395.148987 Da
  • ChemSpider ID60414554

More details:

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

1-Cycloheptyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-Cycloheptyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea [ACD/IUPAC Name]
1-Cycloheptyl-3-[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-cycloheptyl-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: 549.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.1±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15953.29
ACD/KOC (pH 5.5): 35479.72
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15953.12
ACD/KOC (pH 7.4): 35479.33
Polar Surface Area: 97 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 314.7±5.0 cm3

Click to predict properties on the Chemicalize site


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