ChemSpider 2D Image | 4-Thiocyanatobenzenesulfonic acid | C7H5NO3S2

4-Thiocyanatobenzenesulfonic acid

  • Molecular FormulaC7H5NO3S2
  • Average mass215.249 Da
  • Monoisotopic mass214.971085 Da
  • ChemSpider ID62888929

More details:

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

4-Thiocyanatobenzenesulfonic acid [ACD/IUPAC Name]
4-Thiocyanatobenzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 4-thiocyanatobenzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-thiocyanato- [ACD/Index Name]
98453-75-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 49.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 86.0±5.0 dyne/cm
Molar Volume: 131.5±5.0 cm3

Click to predict properties on the Chemicalize site


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