ChemSpider 2D Image | 6-(2-Methyl-2-propanyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-one | C11H17NOS

6-(2-Methyl-2-propanyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-one

  • Molecular FormulaC11H17NOS
  • Average mass211.324 Da
  • Monoisotopic mass211.103088 Da
  • ChemSpider ID25997013

More details:

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

2(3H)-Benzothiazolone, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- [ACD/Index Name]
6-(2-Methyl-2-propanyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
6-(2-Methyl-2-propanyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
6-(2-Méthyl-2-propanyl)-4,5,6,7-tétrahydro-1,3-benzothiazol-2(3H)-one [French] [ACD/IUPAC Name]
1095051-70-9 [RN]
6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one
MFCD11632146 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.560
Molar Refractivity: 60.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.34
ACD/KOC (pH 5.5): 1130.30
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.27
ACD/KOC (pH 7.4): 1129.67
Polar Surface Area: 54 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 185.9±5.0 cm3

Click to predict properties on the Chemicalize site


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