ChemSpider 2D Image | 6-Phenyl-2-(1,4-thiazepan-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole | C19H24N2S2

6-Phenyl-2-(1,4-thiazepan-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole

  • Molecular FormulaC19H24N2S2
  • Average mass344.537 Da
  • Monoisotopic mass344.138092 Da
  • ChemSpider ID30425808

More details:

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

6-Phenyl-2-(1,4-thiazepan-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol [German] [ACD/IUPAC Name]
6-Phenyl-2-(1,4-thiazepan-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole [ACD/IUPAC Name]
6-Phényl-2-(1,4-thiazépan-4-ylméthyl)-4,5,6,7-tétrahydro-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 4,5,6,7-tetrahydro-6-phenyl-2-[(tetrahydro-1,4-thiazepin-4(5H)-yl)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.3±28.7 °C
Index of Refraction: 1.627
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 262.08
ACD/KOC (pH 5.5): 1007.83
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2112.84
ACD/KOC (pH 7.4): 8124.88
Polar Surface Area: 70 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 286.8±3.0 cm3

Click to predict properties on the Chemicalize site


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