ChemSpider 2D Image | S-(4-Cyanobenzyl) ethanethioate | C10H9NOS

S-(4-Cyanobenzyl) ethanethioate

  • Molecular FormulaC10H9NOS
  • Average mass191.250 Da
  • Monoisotopic mass191.040482 Da
  • ChemSpider ID28540223

More details:

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

643750-00-9 [RN]
Éthanethioate de S-(4-cyanobenzyle) [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[(4-cyanophenyl)methyl] ester [ACD/Index Name]
S-(4-Cyanbenzyl)-ethanthioat [German] [ACD/IUPAC Name]
S-(4-Cyanobenzyl) ethanethioate [ACD/IUPAC Name]
4-[(ACETYLSULFANYL)METHYL]BENZONITRILE
Methyl 4-(3,4-diaminophenoxy)benzoate [ACD/IUPAC Name]
MFCD02755534 [MDL number]
S-[(4-Cyanophenyl)methyl] ethanethioate
S-4-Cyanobenzyl ethanethioate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 329.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 152.8±25.9 °C
    Index of Refraction: 1.579
    Molar Refractivity: 53.3±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.94
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.84
    ACD/KOC (pH 5.5): 326.75
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.84
    ACD/KOC (pH 7.4): 326.75
    Polar Surface Area: 66 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 51.1±5.0 dyne/cm
    Molar Volume: 160.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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