ChemSpider 2D Image | 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]benzoic acid | C14H9NO4S2

4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]benzoic acid

  • Molecular FormulaC14H9NO4S2
  • Average mass319.356 Da
  • Monoisotopic mass318.997284 Da
  • ChemSpider ID24302632

More details:

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

4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(1,1-dioxydo-1,2-benzothiazol-3-yl)sulfanyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)thio]- [ACD/Index Name]
1039329-94-6 [RN]
DBS

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

Density: 1.5±0.1 g/cm3
Boiling Point: 590.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.1±30.7 °C
Index of Refraction: 1.722
Molar Refractivity: 81.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 14.47
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 67.6±7.0 dyne/cm
Molar Volume: 206.6±7.0 cm3

Click to predict properties on the Chemicalize site


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