ChemSpider 2D Image | 5-({2-[(2-Amino-2-oxoethyl)sulfanyl]phenyl}sulfamoyl)-3-thiophenecarboxylic acid | C13H12N2O5S3

5-({2-[(2-Amino-2-oxoethyl)sulfanyl]phenyl}sulfamoyl)-3-thiophenecarboxylic acid

  • Molecular FormulaC13H12N2O5S3
  • Average mass372.440 Da
  • Monoisotopic mass371.990845 Da
  • ChemSpider ID24355915

More details:

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

3-Thiophenecarboxylic acid, 5-[[[2-[(2-amino-2-oxoethyl)thio]phenyl]amino]sulfonyl]- [ACD/Index Name]
5-({2-[(2-Amino-2-oxoethyl)sulfanyl]phenyl}sulfamoyl)-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-({2-[(2-Amino-2-oxoethyl)sulfanyl]phenyl}sulfamoyl)-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-({2-[(2-amino-2-oxoéthyl)sulfanyl]phényl}sulfamoyl)-3-thiophènecarboxylique [French] [ACD/IUPAC 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: 664.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 355.8±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 91.8±5.0 dyne/cm
Molar Volume: 224.9±5.0 cm3

Click to predict properties on the Chemicalize site


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