ChemSpider 2D Image | 4-{[(2-Chloro-5-nitrophenyl)carbamothioyl]amino}benzenesulfonic acid | C13H10ClN3O5S2

4-{[(2-Chloro-5-nitrophenyl)carbamothioyl]amino}benzenesulfonic acid

  • Molecular FormulaC13H10ClN3O5S2
  • Average mass387.819 Da
  • Monoisotopic mass386.975037 Da
  • ChemSpider ID60457784

More details:

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

4-{[(2-Chlor-5-nitrophenyl)carbamothioyl]amino}benzolsulfonsäure [German] [ACD/IUPAC Name]
4-{[(2-Chloro-5-nitrophenyl)carbamothioyl]amino}benzenesulfonic acid [ACD/IUPAC Name]
Acide 4-{[(2-chloro-5-nitrophényl)carbamothioyl]amino}benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-[[[(2-chloro-5-nitrophenyl)amino]thioxomethyl]amino]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 100.3±3.0 dyne/cm
Molar Volume: 224.3±3.0 cm3

Click to predict properties on the Chemicalize site


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