ChemSpider 2D Image | 3-[(1-Methyl-1H-pyrazol-4-yl)sulfamoyl]-2-thiophenecarboxylic acid | C9H9N3O4S2

3-[(1-Methyl-1H-pyrazol-4-yl)sulfamoyl]-2-thiophenecarboxylic acid

  • Molecular FormulaC9H9N3O4S2
  • Average mass287.315 Da
  • Monoisotopic mass287.003448 Da
  • ChemSpider ID25992236

More details:

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

1153942-75-6 [RN]
2-Thiophenecarboxylic acid, 3-[[(1-methyl-1H-pyrazol-4-yl)amino]sulfonyl]- [ACD/Index Name]
3-[(1-Methyl-1H-pyrazol-4-yl)sulfamoyl]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-[(1-Methyl-1H-pyrazol-4-yl)sulfamoyl]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
3-[(1-methyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid
Acide 3-[(1-méthyl-1H-pyrazol-4-yl)sulfamoyl]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
3-[(1-METHYLPYRAZOL-4-YL)SULFAMOYL]THIOPHENE-2-CARBOXYLIC ACID
MFCD12075670 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 546.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 284.1±32.9 °C
Index of Refraction: 1.737
Molar Refractivity: 68.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 76.4±7.0 dyne/cm
Molar Volume: 169.3±7.0 cm3

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