ChemSpider 2D Image | 3-Butyl-4-(3-mesityl-3-methylcyclobutyl)-1,3-thiazole-2(3H)-thione | C21H29NS2

3-Butyl-4-(3-mesityl-3-methylcyclobutyl)-1,3-thiazole-2(3H)-thione

  • Molecular FormulaC21H29NS2
  • Average mass359.592 Da
  • Monoisotopic mass359.174133 Da
  • ChemSpider ID67493427

More details:






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

2(3H)-Thiazolethione, 3-butyl-4-[3-methyl-3-(2,4,6-trimethylphenyl)cyclobutyl]- [ACD/Index Name]
3-Butyl-4-(3-mesityl-3-methylcyclobutyl)-1,3-thiazol-2(3H)-thion [German] [ACD/IUPAC Name]
3-Butyl-4-(3-mesityl-3-methylcyclobutyl)-1,3-thiazole-2(3H)-thione [ACD/IUPAC Name]
3-Butyl-4-(3-mésityl-3-méthylcyclobutyl)-1,3-thiazole-2(3H)-thione [French] [ACD/IUPAC Name]
3-butyl-4-(3-methyl-3-mesitylcyclobut-1-yl)-1,3-thiazole-2(3h)-thione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.3±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43552.23
ACD/KOC (pH 5.5): 72809.23
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43552.23
ACD/KOC (pH 7.4): 72809.23
Polar Surface Area: 61 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 316.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement