ChemSpider 2D Image | 3-{[(4-Nitro-1H-pyrazol-1-yl)acetyl]amino}tetrahydro-3-thiophenecarboxylic acid | C10H12N4O5S

3-{[(4-Nitro-1H-pyrazol-1-yl)acetyl]amino}tetrahydro-3-thiophenecarboxylic acid

  • Molecular FormulaC10H12N4O5S
  • Average mass300.291 Da
  • Monoisotopic mass300.052826 Da
  • ChemSpider ID39170082

More details:

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

3-{[(4-Nitro-1H-pyrazol-1-yl)acetyl]amino}tetrahydro-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-{[(4-Nitro-1H-pyrazol-1-yl)acetyl]amino}tetrahydro-3-thiophenecarboxylic acid [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, tetrahydro-3-[[2-(4-nitro-1H-pyrazol-1-yl)acetyl]amino]- [ACD/Index Name]
Acide 3-{[2-(4-nitro-1H-pyrazol-1-yl)acétyl]amino}tétrahydro-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: 669.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.5±31.5 °C
Index of Refraction: 1.740
Molar Refractivity: 70.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 87.1±7.0 dyne/cm
Molar Volume: 173.9±7.0 cm3

Click to predict properties on the Chemicalize site


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