ChemSpider 2D Image | {[5-(3-Chloro-2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | C8H6ClN3O2S2

{[5-(3-Chloro-2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

  • Molecular FormulaC8H6ClN3O2S2
  • Average mass275.735 Da
  • Monoisotopic mass274.958984 Da
  • ChemSpider ID36045233

More details:

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

{[5-(3-Chlor-2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
{[5-(3-Chloro-2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[5-(3-chloro-2-thienyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
Acide {[5-(3-chloro-2-thiényl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétique [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: 572.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 300.2±32.9 °C
Index of Refraction: 1.727
Molar Refractivity: 62.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 104.1±5.0 dyne/cm
Molar Volume: 158.0±5.0 cm3

Click to predict properties on the Chemicalize site


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