ChemSpider 2D Image | 4-Chloro-3-{[1-(1,1-dioxidotetrahydro-3-thiophenyl)-2,2-dimethylhydrazino]sulfonyl}benzoic acid | C13H17ClN2O6S2

4-Chloro-3-{[1-(1,1-dioxidotetrahydro-3-thiophenyl)-2,2-dimethylhydrazino]sulfonyl}benzoic acid

  • Molecular FormulaC13H17ClN2O6S2
  • Average mass396.867 Da
  • Monoisotopic mass396.021667 Da
  • ChemSpider ID57255346

More details:

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

4-Chlor-3-{[1-(1,1-dioxidotetrahydro-3-thiophenyl)-2,2-dimethylhydrazino]sulfonyl}benzoesäure [German] [ACD/IUPAC Name]
4-Chloro-3-{[1-(1,1-dioxidotetrahydro-3-thiophenyl)-2,2-dimethylhydrazino]sulfonyl}benzoic acid [ACD/IUPAC Name]
Acide 4-chloro-3-{[1-(1,1-dioxydotétrahydro-3-thiophényl)-2,2-diméthylhydrazino]sulfonyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-chloro-3-[[2,2-dimethyl-1-(tetrahydro-1,1-dioxido-3-thienyl)hydrazinyl]sulfonyl]- [ACD/Index Name]
4-chloro-3-{[1-(1,1-dioxidotetrahydro-3-thienyl)-2,2-dimethylhydrazino]sulfonyl}benzoic acid
MFCD29909036

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

Density: 1.6±0.1 g/cm3
Boiling Point: 651.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.5±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 243.7±5.0 cm3

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