Found 8 results

Search term: MF = 'C_{5}H_{4}O_{2}S_{3}'
ChemSpider 2D Image | 5-Methyl-3-thioxo-3H-1,2-dithiole-4-carboxylic acid | C5H4O2S3

5-Methyl-3-thioxo-3H-1,2-dithiole-4-carboxylic acid

  • Molecular FormulaC5H4O2S3
  • Average mass192.279 Da
  • Monoisotopic mass191.937332 Da
  • ChemSpider ID25033903

More details:

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

3H-1,2-Dithiole-4-carboxylic acid, 5-methyl-3-thioxo- [ACD/Index Name]
5-Methyl-3-thioxo-3H-1,2-dithiol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-3-thioxo-3H-1,2-dithiole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-3-thioxo-3H-1,2-dithiole-4-carboxylique [French] [ACD/IUPAC Name]
24045-37-2 [RN]
MFCD20639831

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

Density: 1.7±0.1 g/cm3
Boiling Point: 343.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.5±6.0 kJ/mol
Flash Point: 161.3±30.7 °C
Index of Refraction: 1.770
Molar Refractivity: 47.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 93.1±5.0 dyne/cm
Molar Volume: 114.1±5.0 cm3

Click to predict properties on the Chemicalize site


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