ChemSpider 2D Image | 5-{[(1-Isobutyl-1H-1,2,4-triazol-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine | C9H14N6S2

5-{[(1-Isobutyl-1H-1,2,4-triazol-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine

  • Molecular FormulaC9H14N6S2
  • Average mass270.378 Da
  • Monoisotopic mass270.072144 Da
  • ChemSpider ID47110786

More details:

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

1,3,4-Thiadiazol-2-amine, 5-[[[1-(2-methylpropyl)-1H-1,2,4-triazol-5-yl]methyl]thio]- [ACD/Index Name]
5-{[(1-Isobutyl-1H-1,2,4-triazol-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amin [German] [ACD/IUPAC Name]
5-{[(1-Isobutyl-1H-1,2,4-triazol-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine [ACD/IUPAC Name]
5-{[(1-Isobutyl-1H-1,2,4-triazol-5-yl)méthyl]sulfanyl}-1,3,4-thiadiazol-2-amine [French] [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: 494.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 253.0±31.5 °C
Index of Refraction: 1.768
Molar Refractivity: 72.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 108.72
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.92
ACD/KOC (pH 7.4): 108.92
Polar Surface Area: 136 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 174.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement