ChemSpider 2D Image | (R)-tioconazole | C16H13Cl3N2OS

(R)-tioconazole

  • Molecular FormulaC16H13Cl3N2OS
  • Average mass387.711 Da
  • Monoisotopic mass385.981415 Da
  • ChemSpider ID30786382
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(R)-tioconazole
1-[(2R)-2-[(2-Chlor-3-thienyl)methoxy]-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol [German] [ACD/IUPAC Name]
1-[(2R)-2-[(2-Chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole [ACD/IUPAC Name]
1-[(2R)-2-[(2-Chloro-3-thiényl)méthoxy]-2-(2,4-dichlorophényl)éthyl]-1H-imidazole [French] [ACD/IUPAC Name]
1H-Imidazole, 1-[(2R)-2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]- [ACD/Index Name]
265-973-8 [EINECS]
65899-73-2 [RN]
UNII-S57Y5X1117
  • Miscellaneous
    • Chemical Class:

      A 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (<stereo>R</stereo>)-enantiomer of tioconazole. ChEBI CHEBI:77905

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 534.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 277.0±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 98.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 467.65
ACD/KOC (pH 5.5): 1320.24
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 5837.38
ACD/KOC (pH 7.4): 16479.54
Polar Surface Area: 55 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 269.1±7.0 cm3

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