ChemSpider 2D Image | 3-[3-{[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]sulfanyl}-5-(2-furyl)-4H-1,2,4-triazol-4-yl]propanamide | C12H11ClN6O2S2

3-[3-{[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]sulfanyl}-5-(2-furyl)-4H-1,2,4-triazol-4-yl]propanamide

  • Molecular FormulaC12H11ClN6O2S2
  • Average mass370.838 Da
  • Monoisotopic mass370.007355 Da
  • ChemSpider ID70851247

More details:

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

3-[3-{[(5-Chlor-1,2,3-thiadiazol-4-yl)methyl]sulfanyl}-5-(2-furyl)-4H-1,2,4-triazol-4-yl]propanamid [German] [ACD/IUPAC Name]
3-[3-{[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]sulfanyl}-5-(2-furyl)-4H-1,2,4-triazol-4-yl]propanamide [ACD/IUPAC Name]
3-[3-{[(5-Chloro-1,2,3-thiadiazol-4-yl)méthyl]sulfanyl}-5-(2-furyl)-4H-1,2,4-triazol-4-yl]propanamide [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-4-propanamide, 3-[[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]thio]-5-(2-furanyl)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 687.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.4±34.3 °C
Index of Refraction: 1.818
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.31
ACD/KOC (pH 5.5): 130.05
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.31
ACD/KOC (pH 7.4): 130.05
Polar Surface Area: 166 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 80.9±7.0 dyne/cm
Molar Volume: 208.8±7.0 cm3

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