Found 8 results

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

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

  • Molecular FormulaC5H4O2S3
  • Average mass192.279 Da
  • Monoisotopic mass191.937332 Da
  • ChemSpider ID60746626

More details:

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

3H-1,2-Dithiole-5-carboxylic acid, 4-methyl-3-thioxo- [ACD/Index Name]
4-Methyl-3-thioxo-3H-1,2-dithiol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Methyl-3-thioxo-3H-1,2-dithiole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-méthyl-3-thioxo-3H-1,2-dithiole-5-carboxylique [French] [ACD/IUPAC Name]
203737-79-5 [RN]
MFCD20656057

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): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
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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