ChemSpider 2D Image | 3-[(Benzylsulfanyl)methyl]-6-(5-isopropyl-1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C17H18N6S2

3-[(Benzylsulfanyl)methyl]-6-(5-isopropyl-1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC17H18N6S2
  • Average mass370.495 Da
  • Monoisotopic mass370.103424 Da
  • ChemSpider ID71279382

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-[5-(1-methylethyl)-1H-pyrazol-3-yl]-3-[[(phenylmethyl)thio]methyl]- [ACD/Index Name]
3-[(Benzylsulfanyl)methyl]-6-(5-isopropyl-1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-[(Benzylsulfanyl)methyl]-6-(5-isopropyl-1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-[(Benzylsulfanyl)méthyl]-6-(5-isopropyl-1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.767
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 536.55
ACD/KOC (pH 5.5): 3129.37
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 536.39
ACD/KOC (pH 7.4): 3128.42
Polar Surface Area: 125 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 253.8±7.0 cm3

Click to predict properties on the Chemicalize site


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