ChemSpider 2D Image | 7-Isothiocyanato-2,1,3-benzoxadiazole-4-sulfonamide | C7H4N4O3S2

7-Isothiocyanato-2,1,3-benzoxadiazole-4-sulfonamide

  • Molecular FormulaC7H4N4O3S2
  • Average mass256.262 Da
  • Monoisotopic mass255.972473 Da
  • ChemSpider ID57429676

More details:






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

2,1,3-Benzoxadiazole-4-sulfonamide, 7-isothiocyanato- [ACD/Index Name]
7-Isothiocyanato-2,1,3-benzoxadiazol-4-sulfonamid [German] [ACD/IUPAC Name]
7-Isothiocyanato-2,1,3-benzoxadiazole-4-sulfonamide [ACD/IUPAC Name]
7-Isothiocyanato-2,1,3-benzoxadiazole-4-sulfonamide [French] [ACD/IUPAC Name]
147611-82-3 [RN]
7-AMINOSULFONYL-4-(2,1,3-BENZOXADIAZOLYL)ISOTHIOCYANATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 510.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.4±32.9 °C
Index of Refraction: 1.832
Molar Refractivity: 59.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.75
ACD/KOC (pH 5.5): 177.67
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.39
ACD/KOC (pH 7.4): 171.07
Polar Surface Area: 152 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 86.3±7.0 dyne/cm
Molar Volume: 134.7±7.0 cm3

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