ChemSpider 2D Image | 5-({2-[(Methylsulfonyl)amino]ethyl}carbamoyl)-2-pyrazinecarboxylic acid | C9H12N4O5S

5-({2-[(Methylsulfonyl)amino]ethyl}carbamoyl)-2-pyrazinecarboxylic acid

  • Molecular FormulaC9H12N4O5S
  • Average mass288.280 Da
  • Monoisotopic mass288.052826 Da
  • ChemSpider ID54647686

More details:

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

2-Pyrazinecarboxylic acid, 5-[[[2-[(methylsulfonyl)amino]ethyl]amino]carbonyl]- [ACD/Index Name]
5-({2-[(Methylsulfonyl)amino]ethyl}carbamoyl)-2-pyrazincarbonsäure [German] [ACD/IUPAC Name]
5-({2-[(Methylsulfonyl)amino]ethyl}carbamoyl)-2-pyrazinecarboxylic acid [ACD/IUPAC Name]
Acide 5-({2-[(méthylsulfonyl)amino]éthyl}carbamoyl)-2-pyrazinecarboxylique [French] [ACD/IUPAC Name]

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: 1.576
Molar Refractivity: 63.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.10
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 191.6±3.0 cm3

Click to predict properties on the Chemicalize site


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