ChemSpider 2D Image | S-(2-Cyanoethyl) methanesulfonothioate | C4H7NO2S2

S-(2-Cyanoethyl) methanesulfonothioate

  • Molecular FormulaC4H7NO2S2
  • Average mass165.234 Da
  • Monoisotopic mass164.991821 Da
  • ChemSpider ID28601580

More details:

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

Méthanesulfonothioate de S-(2-cyanoéthyle) [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, S-(2-cyanoethyl) ester [ACD/Index Name]
S-(2-Cyanethyl)-methansulfonothioat [German] [ACD/IUPAC Name]
S-(2-Cyanoethyl) methanesulfonothioate [ACD/IUPAC Name]
3-(METHANESULFONYLSULFANYL)PROPANENITRILE
7651-64-1 [RN]
96969-83-4 [RN]
CS-15340
MFCD23726590

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 398.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 194.6±23.2 °C
    Index of Refraction: 1.519
    Molar Refractivity: 37.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.10
    ACD/LogD (pH 5.5): -0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.59
    ACD/LogD (pH 7.4): -0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.59
    Polar Surface Area: 92 Å2
    Polarizability: 14.8±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 122.9±3.0 cm3

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