ChemSpider 2D Image | (5R)-3,5-Di(2-thienyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide | C12H11N3S3

(5R)-3,5-Di(2-thienyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

  • Molecular FormulaC12H11N3S3
  • Average mass293.431 Da
  • Monoisotopic mass293.011505 Da
  • ChemSpider ID62355458

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-3,5-Di(2-thienyl)-4,5-dihydro-1H-pyrazol-1-carbothioamid [German] [ACD/IUPAC Name]
(5R)-3,5-Di(2-thienyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide [ACD/IUPAC Name]
(5R)-3,5-Di(2-thiényl)-4,5-dihydro-1H-pyrazole-1-carbothioamide [French] [ACD/IUPAC Name]
1H-Pyrazole-1-carbothioamide, 4,5-dihydro-3,5-di-2-thienyl-, (5R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 469.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.9±31.5 °C
Index of Refraction: 1.810
Molar Refractivity: 82.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.57
ACD/KOC (pH 5.5): 552.41
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.58
ACD/KOC (pH 7.4): 552.44
Polar Surface Area: 130 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 190.3±7.0 cm3

Click to predict properties on the Chemicalize site


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