ChemSpider 2D Image | 2-[4-({4-[2-(Methylsulfanyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-1,3-thiazol-2-yl]pyrazine | C14H16N6S2

2-[4-({4-[2-(Methylsulfanyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-1,3-thiazol-2-yl]pyrazine

  • Molecular FormulaC14H16N6S2
  • Average mass332.447 Da
  • Monoisotopic mass332.087799 Da
  • ChemSpider ID29501844

More details:

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

2-[4-({4-[2-(Methylsulfanyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-1,3-thiazol-2-yl]pyrazin [German] [ACD/IUPAC Name]
2-[4-({4-[2-(Methylsulfanyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-1,3-thiazol-2-yl]pyrazine [ACD/IUPAC Name]
2-[4-({4-[2-(Méthylsulfanyl)propyl]-1H-1,2,3-triazol-1-yl}méthyl)-1,3-thiazol-2-yl]pyrazine [French] [ACD/IUPAC Name]
Pyrazine, 2-[4-[[4-[2-(methylthio)propyl]-1H-1,2,3-triazol-1-yl]methyl]-2-thiazolyl]- [ACD/Index Name]
2-[4-({4-[2-(methylthio)propyl]-1H-1,2,3-triazol-1-yl}methyl)-1,3-thiazol-2-yl]pyrazine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 580.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.6±32.9 °C
Index of Refraction: 1.735
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.51
ACD/KOC (pH 5.5): 373.30
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.51
ACD/KOC (pH 7.4): 373.30
Polar Surface Area: 123 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 234.1±7.0 cm3

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