ChemSpider 2D Image | {[(Methylsulfanyl)carbonothioyl]sulfanyl}acetic acid | C4H6O2S3

{[(Methylsulfanyl)carbonothioyl]sulfanyl}acetic acid

  • Molecular FormulaC4H6O2S3
  • Average mass182.284 Da
  • Monoisotopic mass181.952988 Da
  • ChemSpider ID60745261

More details:

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

{[(Methylsulfanyl)carbonothioyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[(Methylsulfanyl)carbonothioyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[(methylthio)thioxomethyl]thio]- [ACD/Index Name]
Acide {[(méthylsulfanyl)carbonothioyl]sulfanyl}acétique [French] [ACD/IUPAC Name]
30453-66-8 [RN]
MFCD20641065

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

Density: 1.5±0.1 g/cm3
Boiling Point: 398.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.3±6.0 kJ/mol
Flash Point: 194.9±22.1 °C
Index of Refraction: 1.666
Molar Refractivity: 45.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 122.1±3.0 cm3

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