ChemSpider 2D Image | 5-[(4-Methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid | C10H8N2O2S2

5-[(4-Methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid

  • Molecular FormulaC10H8N2O2S2
  • Average mass252.313 Da
  • Monoisotopic mass252.002716 Da
  • ChemSpider ID35033828

More details:

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

1,2,3-Thiadiazole-4-carboxylic acid, 5-[(4-methylphenyl)thio]- [ACD/Index Name]
5-[(4-Methylphenyl)sulfanyl]-1,2,3-thiadiazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(4-Methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(4-méthylphényl)sulfanyl]-1,2,3-thiadiazole-4-carboxylique [French] [ACD/IUPAC Name]
HO6

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

Density: 1.5±0.1 g/cm3
Boiling Point: 430.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 214.2±31.5 °C
Index of Refraction: 1.695
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 83.6±5.0 dyne/cm
Molar Volume: 166.9±5.0 cm3

Click to predict properties on the Chemicalize site


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