ChemSpider 2D Image | 2-(5-{[(2-Amino-1,3-thiazol-4-yl)methyl]sulfanyl}-4-benzyl-4H-1,2,4-triazol-3-yl)phenol | C19H17N5OS2

2-(5-{[(2-Amino-1,3-thiazol-4-yl)methyl]sulfanyl}-4-benzyl-4H-1,2,4-triazol-3-yl)phenol

  • Molecular FormulaC19H17N5OS2
  • Average mass395.501 Da
  • Monoisotopic mass395.087463 Da
  • ChemSpider ID21511996

More details:

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

2-(5-{[(2-Amino-1,3-thiazol-4-yl)methyl]sulfanyl}-4-benzyl-4H-1,2,4-triazol-3-yl)phenol [ACD/IUPAC Name]
2-(5-{[(2-Amino-1,3-thiazol-4-yl)methyl]sulfanyl}-4-benzyl-4H-1,2,4-triazol-3-yl)phenol [German] [ACD/IUPAC Name]
2-(5-{[(2-Amino-1,3-thiazol-4-yl)méthyl]sulfanyl}-4-benzyl-4H-1,2,4-triazol-3-yl)phénol [French] [ACD/IUPAC Name]
Phenol, 2-[5-[[(2-amino-4-thiazolyl)methyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
2-(5-{[(2-amino-1,3-thiazol-4-yl)methyl]thio}-4-benzyl-4H-1,2,4-triazol-3-yl)phenol
2-{5-[(2-amino(1,3-thiazol-4-yl))methylthio]-4-benzyl-1,2,4-triazol-3-yl}phenol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 688.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 370.5±34.3 °C
Index of Refraction: 1.754
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.03
ACD/KOC (pH 5.5): 1480.25
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 151.37
ACD/KOC (pH 7.4): 1185.35
Polar Surface Area: 143 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 65.3±7.0 dyne/cm
Molar Volume: 272.3±7.0 cm3

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