ChemSpider 2D Image | Sulfophenyl isothiocyanate | C7H5NO3S2

Sulfophenyl isothiocyanate

  • Molecular FormulaC7H5NO3S2
  • Average mass215.249 Da
  • Monoisotopic mass214.971085 Da
  • ChemSpider ID11510947

More details:

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

131417-69-1 [RN]
2-Isothiocyanatobenzenesulfonic acid [ACD/IUPAC Name]
2-Isothiocyanatobenzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 2-isothiocyanatobenzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-isothiocyanato- [ACD/Index Name]
Sulfophenyl isothiocyanate
isothiocyanatobenzene sulfonic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 53.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 147.7±7.0 cm3

Click to predict properties on the Chemicalize site


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