ChemSpider 2D Image | Methyl {5-[(4-cyano-3-pyridazinyl)sulfanyl]-1H-tetrazol-1-yl}acetate | C9H7N7O2S

Methyl {5-[(4-cyano-3-pyridazinyl)sulfanyl]-1H-tetrazol-1-yl}acetate

  • Molecular FormulaC9H7N7O2S
  • Average mass277.263 Da
  • Monoisotopic mass277.038177 Da
  • ChemSpider ID47447505

More details:

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

{5-[(4-Cyano-3-pyridazinyl)sulfanyl]-1H-tétrazol-1-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1H-Tetrazole-1-acetic acid, 5-[(4-cyano-3-pyridazinyl)thio]-, methyl ester [ACD/Index Name]
Methyl {5-[(4-cyano-3-pyridazinyl)sulfanyl]-1H-tetrazol-1-yl}acetate [ACD/IUPAC Name]
Methyl-{5-[(4-cyan-3-pyridazinyl)sulfanyl]-1H-tetrazol-1-yl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 597.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.2±32.9 °C
Index of Refraction: 1.765
Molar Refractivity: 69.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.02
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.02
Polar Surface Area: 145 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 75.9±7.0 dyne/cm
Molar Volume: 169.1±7.0 cm3

Click to predict properties on the Chemicalize site


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