ChemSpider 2D Image | 3-Ethyl-N-[3-(1H-1,2,4-triazol-1-yl)propyl]-1,2,4-thiadiazol-5-amine | C9H14N6S

3-Ethyl-N-[3-(1H-1,2,4-triazol-1-yl)propyl]-1,2,4-thiadiazol-5-amine

  • Molecular FormulaC9H14N6S
  • Average mass238.313 Da
  • Monoisotopic mass238.100067 Da
  • ChemSpider ID65090546

More details:

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

1,2,4-Thiadiazol-5-amine, 3-ethyl-N-[3-(1H-1,2,4-triazol-1-yl)propyl]- [ACD/Index Name]
3-Ethyl-N-[3-(1H-1,2,4-triazol-1-yl)propyl]-1,2,4-thiadiazol-5-amin [German] [ACD/IUPAC Name]
3-Ethyl-N-[3-(1H-1,2,4-triazol-1-yl)propyl]-1,2,4-thiadiazol-5-amine [ACD/IUPAC Name]
3-Éthyl-N-[3-(1H-1,2,4-triazol-1-yl)propyl]-1,2,4-thiadiazol-5-amine [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: 446.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.6±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 65.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 95.32
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.15
ACD/KOC (pH 7.4): 96.45
Polar Surface Area: 97 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 168.5±7.0 cm3

Click to predict properties on the Chemicalize site


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