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

1-[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-methylcyclohexyl)thiourea

  • Molecular FormulaC22H25N3S2
  • Average mass395.584 Da
  • Monoisotopic mass395.148987 Da
  • ChemSpider ID60453577

More details:

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

1-[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-methylcyclohexyl)thioharnstoff [German] [ACD/IUPAC Name]
1-[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-methylcyclohexyl)thiourea [ACD/IUPAC Name]
1-[4-(6-Méthyl-1,3-benzothiazol-2-yl)phényl]-3-(2-méthylcyclohexyl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[4-(6-methyl-2-benzothiazolyl)phenyl]-N'-(2-methylcyclohexyl)- [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: 541.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.4±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14698.07
ACD/KOC (pH 5.5): 33458.40
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14697.90
ACD/KOC (pH 7.4): 33458.03
Polar Surface Area: 97 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 315.3±5.0 cm3

Click to predict properties on the Chemicalize site


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