ChemSpider 2D Image | (R)-prothioconazole | C14H15Cl2N3OS

(R)-prothioconazole

  • Molecular FormulaC14H15Cl2N3OS
  • Average mass344.259 Da
  • Monoisotopic mass343.031281 Da
  • ChemSpider ID32789968

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-prothioconazole
2-[(2R)-2-(1-Chlorcyclopropyl)-3-(2-chlorphenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
2-[(2R)-2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
2-[(2R)-2-(1-Chlorocyclopropyl)-3-(2-chlorophényl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
3H-1,2,4-Triazole-3-thione, 2-[(2R)-2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro- [ACD/Index Name]
178928-70-6 [RN]
prothioconazole [BSI] [ISO]
UNII-27B9FV58IY
  • Miscellaneous

    • Chemical Class:

      A 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione that is the (<stereo>R</stereo>)-enantiomer of prothioconazole. ChEBI CHEBI:84010
      A 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione that is the (R)-enantiomer of prothioconazole. ChEBI CHEBI:84010

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

Density: 1.5±0.1 g/cm3
Boiling Point: 486.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.2±31.5 °C
Index of Refraction: 1.698
Molar Refractivity: 87.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.42
ACD/KOC (pH 5.5): 542.65
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 42.36
ACD/KOC (pH 7.4): 495.09
Polar Surface Area: 80 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 228.0±7.0 cm3

Click to predict properties on the Chemicalize site


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