Found 1 result

Search term: KDXHCHZQQJZEJM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-({[4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}sulfanyl)ethanol | C7H13N3O3S

2-({[4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}sulfanyl)ethanol

  • Molecular FormulaC7H13N3O3S
  • Average mass219.261 Da
  • Monoisotopic mass219.067764 Da
  • ChemSpider ID28577513

More details:

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

1H-1,2,3-Triazole-4,5-dimethanol, 1-[[(2-hydroxyethyl)thio]methyl]- [ACD/Index Name]
2-({[4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}sulfanyl)ethanol [German] [ACD/IUPAC Name]
2-({[4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}sulfanyl)ethanol [ACD/IUPAC Name]
2-({[4,5-Bis(hydroxyméthyl)-1H-1,2,3-triazol-1-yl]méthyl}sulfanyl)éthanol [French] [ACD/IUPAC Name]
2-({[4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}sulfanyl)ethan-1-ol
827603-58-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 512.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.7±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 52.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.19
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.19
Polar Surface Area: 117 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 66.9±7.0 dyne/cm
Molar Volume: 143.4±7.0 cm3

Click to predict properties on the Chemicalize site


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