ChemSpider 2D Image | 4-Sulfino-1H-imidazole-5-carboxylic acid | C4H4N2O4S

4-Sulfino-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC4H4N2O4S
  • Average mass176.151 Da
  • Monoisotopic mass175.989182 Da
  • ChemSpider ID23980657

More details:

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

1H-Imidazole-5-carboxylic acid, 4-sulfino- [ACD/Index Name]
4-Sulfino-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Sulfino-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-sulfino-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
1H-IMIDAZOLE-4-CARBOXYLIC ACID,5-SULFINO-
1H-IMIDAZOLE-4-CARBOXYLICACID, 5-SULFINO-
251948-57-9 [RN]
5-sulfino-1H-imidazole-4-carboxylic acid

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

Density: 2.2±0.1 g/cm3
Boiling Point: 801.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.5±37.1 °C
Index of Refraction: 1.811
Molar Refractivity: 35.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.47
ACD/LogD (pH 5.5): -4.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 213.1±5.0 dyne/cm
Molar Volume: 81.4±5.0 cm3

Click to predict properties on the Chemicalize site


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