ChemSpider 2D Image | Methyl [(5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl](3-thienyl)acetate | C9H9N3O3S2

Methyl [(5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl](3-thienyl)acetate

  • Molecular FormulaC9H9N3O3S2
  • Average mass271.316 Da
  • Monoisotopic mass271.008545 Da
  • ChemSpider ID35202382

More details:

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

[(5-Hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl](3-thiényl)acétate de méthyle [French] [ACD/IUPAC Name]
3-Thiopheneacetic acid, α-[(5-hydroxy-4H-1,2,4-triazol-3-yl)thio]-, methyl ester [ACD/Index Name]
Methyl [(5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl](3-thienyl)acetate [ACD/IUPAC Name]
Methyl-[(5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl](3-thienyl)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: 536.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 278.3±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 64.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 11.69
ACD/KOC (pH 5.5): 192.69
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 20.33
Polar Surface Area: 142 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 91.4±5.0 dyne/cm
Molar Volume: 170.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement