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Search term: WCSVJBCKWSHLCX (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Methyl [(3-sulfanylpropyl)sulfanyl]acetate | C6H12O2S2

Methyl [(3-sulfanylpropyl)sulfanyl]acetate

  • Molecular FormulaC6H12O2S2
  • Average mass180.288 Da
  • Monoisotopic mass180.027863 Da
  • ChemSpider ID57518270

More details:






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

[(3-Sulfanylpropyl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(3-mercaptopropyl)thio]-, methyl ester [ACD/Index Name]
Methyl [(3-sulfanylpropyl)sulfanyl]acetate [ACD/IUPAC Name]
Methyl-[(3-sulfanylpropyl)sulfanyl]acetat [German] [ACD/IUPAC Name]
164214-15-7 [RN]
METHYL 2-[(3-SULFANYLPROPYL)SULFANYL]ACETATE
MFCD27945763

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 253.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 107.0±23.2 °C
Index of Refraction: 1.509
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.07
ACD/KOC (pH 5.5): 318.74
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.03
ACD/KOC (pH 7.4): 318.19
Polar Surface Area: 90 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 159.1±3.0 cm3

Click to predict properties on the Chemicalize site






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