ChemSpider 2D Image | 5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-ethyl-1H-pyrazole-4-carboxylic acid | C10H13ClN2O4S

5-chloro-1-(1,1-dioxo-1λ6-thiolan-3-yl)-3-ethyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC10H13ClN2O4S
  • Average mass292.739 Da
  • Monoisotopic mass292.028442 Da
  • ChemSpider ID28546372

More details:

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

1152972-29-6 [RN]
1H-Pyrazole-4-carboxylic acid, 5-chloro-3-ethyl-1-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
5-Chlor-1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-ethyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Chloro-1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-ethyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
5-chloro-1-(1,1-dioxo-1λ6-thiolan-3-yl)-3-ethyl-1H-pyrazole-4-carboxylic acid
Acide 5-chloro-1-(1,1-dioxydotétrahydro-3-thiophényl)-3-éthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
5-Chloro-1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethyl-1H-pyrazole-4-carboxylic acid
5-chloro-1-(1,1-dioxo-1??-thiolan-3-yl)-3-ethyl-1H-pyrazole-4-carboxylic acid
5-chloro-1-(1,1-dioxo-1λ6-thiolan-3-yl)-3-ethyl-1H-pyrazole-4-carboxylic acid
5-chloro-1-(1,1-dioxo-1λ6-thiolan-3-yl)-3-ethyl-1H-pyrazole-4-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 552.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 287.9±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 66.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 175.4±7.0 cm3

Click to predict properties on the Chemicalize site


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