ChemSpider 2D Image | 2-(3-Methyl-2-buten-1-yl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide | C12H13NO3S

2-(3-Methyl-2-buten-1-yl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide

  • Molecular FormulaC12H13NO3S
  • Average mass251.301 Da
  • Monoisotopic mass251.061615 Da
  • ChemSpider ID24742094

More details:

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

1,1-Dioxyde de 2-(3-méthyl-2-butén-1-yl)-1,2-benzothiazol-3(2H)-one [French] [ACD/IUPAC Name]
1,2-Benzisothiazol-3(2H)-one, 2-(3-methyl-2-buten-1-yl)-, 1,1-dioxide [ACD/Index Name]
2-(3-Methyl-2-buten-1-yl)-1,2-benzothiazol-3(2H)-on-1,1-dioxid [German] [ACD/IUPAC Name]
2-(3-Methyl-2-buten-1-yl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide [ACD/IUPAC 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: 408.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.6±26.8 °C
Index of Refraction: 1.588
Molar Refractivity: 65.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.39
ACD/KOC (pH 5.5): 159.56
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.39
ACD/KOC (pH 7.4): 159.56
Polar Surface Area: 63 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 193.2±3.0 cm3

Click to predict properties on the Chemicalize site


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