ChemSpider 2D Image | 2-(Methylsulfanyl)-5-(2-thienylmethyl)-1H-imidazol-4-ol | C9H10N2OS2

2-(Methylsulfanyl)-5-(2-thienylmethyl)-1H-imidazol-4-ol

  • Molecular FormulaC9H10N2OS2
  • Average mass226.318 Da
  • Monoisotopic mass226.023453 Da
  • ChemSpider ID25058675

More details:

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

1H-Imidazol-4-ol, 2-(methylthio)-5-(2-thienylmethyl)- [ACD/Index Name]
2-(Methylsulfanyl)-5-(2-thienylmethyl)-1H-imidazol-4-ol [ACD/IUPAC Name]
2-(Methylsulfanyl)-5-(2-thienylmethyl)-1H-imidazol-4-ol [German] [ACD/IUPAC Name]
2-(Méthylsulfanyl)-5-(2-thiénylméthyl)-1H-imidazol-4-ol [French] [ACD/IUPAC Name]
2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 456.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 230.1±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 60.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 4.36
ACD/KOC (pH 5.5): 60.58
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 6.55
ACD/KOC (pH 7.4): 91.01
Polar Surface Area: 102 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 77.9±5.0 dyne/cm
Molar Volume: 156.6±5.0 cm3

Click to predict properties on the Chemicalize site


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