ChemSpider 2D Image | (3R)-3-Isopropyl-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1,2-benzothiazole | C17H19NO2S2

(3R)-3-Isopropyl-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1,2-benzothiazole

  • Molecular FormulaC17H19NO2S2
  • Average mass333.468 Da
  • Monoisotopic mass333.085724 Da
  • ChemSpider ID30658954

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Isopropyl-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1,2-benzothiazol [German] [ACD/IUPAC Name]
(3R)-3-Isopropyl-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1,2-benzothiazole [ACD/IUPAC Name]
(3R)-3-Isopropyl-2-[(4-méthylphényl)sulfonyl]-2,3-dihydro-1,2-benzothiazole [French] [ACD/IUPAC Name]
1,2-Benzisothiazole, 2,3-dihydro-3-(1-methylethyl)-2-[(4-methylphenyl)sulfonyl]-, (3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 448.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.2±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 668.97
ACD/KOC (pH 5.5): 3664.60
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 668.97
ACD/KOC (pH 7.4): 3664.60
Polar Surface Area: 71 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 264.7±3.0 cm3

Click to predict properties on the Chemicalize site


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