ChemSpider 2D Image | 1-Cyclohexyl-5-{[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-1H-tetrazole | C14H23N7S

1-Cyclohexyl-5-{[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-1H-tetrazole

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID64803337

More details:






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

1-Cyclohexyl-5-{[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-1H-tetrazol [German] [ACD/IUPAC Name]
1-Cyclohexyl-5-{[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-1H-tetrazole [ACD/IUPAC Name]
1-Cyclohexyl-5-{[(5-méthyl-4-propyl-4H-1,2,4-triazol-3-yl)méthyl]sulfanyl}-1H-tétrazole [French] [ACD/IUPAC Name]
1H-Tetrazole, 1-cyclohexyl-5-[[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl]thio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 539.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 279.9±32.9 °C
Index of Refraction: 1.710
Molar Refractivity: 90.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.31
ACD/KOC (pH 5.5): 507.66
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.39
ACD/KOC (pH 7.4): 508.61
Polar Surface Area: 100 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 230.4±7.0 cm3

Click to predict properties on the Chemicalize site






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