ChemSpider 2D Image | CM156 | C21H31N3S2

CM156

  • Molecular FormulaC21H31N3S2
  • Average mass389.621 Da
  • Monoisotopic mass389.195923 Da
  • ChemSpider ID23325411

More details:






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

2(3H)-Benzothiazolethione, 3-[4-(4-cyclohexyl-1-piperazinyl)butyl]- [ACD/Index Name]
3-[4-(4-Cyclohexyl-1-piperazinyl)butyl]-1,3-benzothiazol-2(3H)-thion [German] [ACD/IUPAC Name]
3-[4-(4-Cyclohexyl-1-piperazinyl)butyl]-1,3-benzothiazole-2(3H)-thione [ACD/IUPAC Name]
3-[4-(4-Cyclohexyl-1-pipérazinyl)butyl]-1,3-benzothiazole-2(3H)-thione [French] [ACD/IUPAC Name]
3-[4-(4-cyclohexylpiperazin-1-yl)butyl]-1,3-benzothiazole-2(3H)-thione
CM156 [Wiki]
3-(4-(4-cyclohexylpiperazin-1-yl)butyl)benzo[d]thiazole-2(3H)-thione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 537.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.1±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 6.79
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 53.54
ACD/KOC (pH 7.4): 295.78
Polar Surface Area: 67 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 317.4±5.0 cm3

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