ChemSpider 2D Image | 3,3-Dimethyl-1-{[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-butanone | C11H15N5OS2

3,3-Dimethyl-1-{[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-butanone

  • Molecular FormulaC11H15N5OS2
  • Average mass297.400 Da
  • Monoisotopic mass297.071808 Da
  • ChemSpider ID21119192

More details:

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

2-Butanone, 3,3-dimethyl-1-[[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]thio]- [ACD/Index Name]
3,3-Dimethyl-1-{[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-butanon [German] [ACD/IUPAC Name]
3,3-Dimethyl-1-{[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-butanone [ACD/IUPAC Name]
3,3-Diméthyl-1-{[5-(1H-1,2,4-triazol-1-ylméthyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-butanone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 483.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.2±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 80.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.28
ACD/KOC (pH 5.5): 114.57
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.29
ACD/KOC (pH 7.4): 114.61
Polar Surface Area: 127 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 211.4±7.0 cm3

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