ChemSpider 2D Image | Methyl 4-methyl-3-(1,2,3,4-thiatriazol-5-ylsulfamoyl)-2-thiophenecarboxylate | C8H8N4O4S3

Methyl 4-methyl-3-(1,2,3,4-thiatriazol-5-ylsulfamoyl)-2-thiophenecarboxylate

  • Molecular FormulaC8H8N4O4S3
  • Average mass320.368 Da
  • Monoisotopic mass319.970764 Da
  • ChemSpider ID51910396

More details:

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

2-Thiophenecarboxylic acid, 4-methyl-3-[(1,2,3,4-thiatriazol-5-ylamino)sulfonyl]-, methyl ester [ACD/Index Name]
4-Méthyl-3-(1,2,3,4-thiatriazol-5-ylsulfamoyl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-methyl-3-(1,2,3,4-thiatriazol-5-ylsulfamoyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-4-methyl-3-(1,2,3,4-thiatriazol-5-ylsulfamoyl)-2-thiophencarboxylat [German] [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: 525.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.3±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 86.7±3.0 dyne/cm
Molar Volume: 191.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement