ChemSpider 2D Image | 4-[(Methylsulfanyl)carbonyl]-1,2,3-thiadiazole-5-carboxylic acid | C5H4N2O3S2

4-[(Methylsulfanyl)carbonyl]-1,2,3-thiadiazole-5-carboxylic acid

  • Molecular FormulaC5H4N2O3S2
  • Average mass204.227 Da
  • Monoisotopic mass203.966339 Da
  • ChemSpider ID61888672

More details:

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

1,2,3-Thiadiazole-5-carboxylic acid, 4-[(methylthio)carbonyl]- [ACD/Index Name]
4-[(Methylsulfanyl)carbonyl]-1,2,3-thiadiazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-[(Methylsulfanyl)carbonyl]-1,2,3-thiadiazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(méthylsulfanyl)carbonyl]-1,2,3-thiadiazole-5-carboxylique [French] [ACD/IUPAC Name]
1893592-71-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 400.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 195.9±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 86.9±3.0 dyne/cm
Molar Volume: 123.4±3.0 cm3

Click to predict properties on the Chemicalize site


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