ChemSpider 2D Image | 5-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid | C10H11N5O3S2

5-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC10H11N5O3S2
  • Average mass313.356 Da
  • Monoisotopic mass313.030334 Da
  • ChemSpider ID21759995

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]carbonyl]-1-methyl- [ACD/Index Name]
5-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-1-methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-{[5-(éthylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-1-méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
5-({[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
5-(5-Ethylsulfanyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
5-[N-(5-ethylthio(1,3,4-thiadiazol-2-yl))carbamoyl]-1-methylpyrazole-4-carboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.776
Molar Refractivity: 77.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 74.7±7.0 dyne/cm
Molar Volume: 185.4±7.0 cm3

Click to predict properties on the Chemicalize site


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