Found 8 results

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

4-Methoxy-3-thioxo-3H-1,2-dithiole-5-carbaldehyde

  • Molecular FormulaC5H4O2S3
  • Average mass192.279 Da
  • Monoisotopic mass191.937332 Da
  • ChemSpider ID28421907

More details:

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

3H-1,2-Dithiole-5-carboxaldehyde, 4-methoxy-3-thioxo- [ACD/Index Name]
4-Methoxy-3-thioxo-3H-1,2-dithiol-5-carbaldehyd [German] [ACD/IUPAC Name]
4-Methoxy-3-thioxo-3H-1,2-dithiole-5-carbaldehyde [ACD/IUPAC Name]
4-Méthoxy-3-thioxo-3H-1,2-dithiole-5-carbaldéhyde [French] [ACD/IUPAC Name]
133082-62-9 [RN]
MFCD24675006

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

Density: 1.6±0.1 g/cm3
Boiling Point: 343.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.4±30.7 °C
Index of Refraction: 1.706
Molar Refractivity: 47.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 75.35
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.94
ACD/KOC (pH 7.4): 75.35
Polar Surface Area: 109 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 123.0±5.0 cm3

Click to predict properties on the Chemicalize site


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