ChemSpider 2D Image | 2-(Chloromethyl)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrobenzo[d]thiazole | C12H18ClNS

2-(Chloromethyl)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrobenzo[d]thiazole

  • Molecular FormulaC12H18ClNS
  • Average mass243.796 Da
  • Monoisotopic mass243.084854 Da
  • ChemSpider ID49711676

More details:

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

1565089-25-9 [RN]
2-(Chlormethyl)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-(Chloromethyl)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazole [ACD/IUPAC Name]
2-(Chlorométhyl)-5,5,7,7-tétraméthyl-4,5,6,7-tétrahydro-1,3-benzothiazole [French] [ACD/IUPAC Name]
2-(Chloromethyl)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrobenzo[d]thiazole
Benzothiazole, 2-(chloromethyl)-4,5,6,7-tetrahydro-5,5,7,7-tetramethyl- [ACD/Index Name]
MFCD26079868

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

Density: 1.1±0.1 g/cm3
Boiling Point: 299.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 134.8±24.0 °C
Index of Refraction: 1.520
Molar Refractivity: 67.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2214.10
ACD/KOC (pH 5.5): 8622.67
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2222.02
ACD/KOC (pH 7.4): 8653.54
Polar Surface Area: 41 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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