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ChemSpider 2D Image | 1,1-Bis(ethylsulfanyl)ethane | C6H14S2


  • Molecular FormulaC6H14S2
  • Average mass150.305 Da
  • Monoisotopic mass150.053696 Da
  • ChemSpider ID26944217

More details:

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

1,1-Bis(ethylsulfanyl)ethan [German] [ACD/IUPAC Name]
1,1-Bis(ethylsulfanyl)ethane [ACD/IUPAC Name]
1,1-Bis(éthylsulfanyl)éthane [French] [ACD/IUPAC Name]
Ethane, 1,1-bis(ethylthio)- [ACD/Index Name]
14252-42-7 [RN]
Acetaldehyde diethyl mercaptal
Acetaldehyde, diethyl mercaptal
  • Gas Chromatography
    • Retention Index (Kovats):

      1055 (estimated with error: 46) NIST Spectra mainlib_4711
      1087 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2.1 m; Column type: Packed; Start T: 130 C; CAS no: 14252427; Active phase: Apiezon M; Carrier gas: He or N2; Substrate: Chromosorb W, AW-DMCS; Data type: Kovats RI; Authors: Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V., Gas chromatographic retention indices for sulphur(II)-containing organic substances, J. Anal. Chem. USSR (Engl. Transl.), 40(4), 1985, 576-586, In original 709-720.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: 184.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.3±3.0 kJ/mol
Flash Point: 65.5±16.9 °C
Index of Refraction: 1.499
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.12
ACD/KOC (pH 5.5): 1000.80
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.12
ACD/KOC (pH 7.4): 1000.80
Polar Surface Area: 51 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 155.9±3.0 cm3

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