ChemSpider 2D Image | S-2-Methylbenzyl ethanethioate | C10H12OS

S-2-Methylbenzyl ethanethioate

  • Molecular FormulaC10H12OS
  • Average mass180.267 Da
  • Monoisotopic mass180.060883 Da
  • ChemSpider ID28540221

More details:

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

1624262-05-0 [RN]
Éthanethioate de S-(2-méthylbenzyle) [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[(2-methylphenyl)methyl] ester [ACD/Index Name]
S-(2-Methylbenzyl) ethanethioate [ACD/IUPAC Name]
S-(2-Methylbenzyl)-ethanthioat [German] [ACD/IUPAC Name]
S-2-Methylbenzyl ethanethioate
1-{[(2-METHYLPHENYL)METHYL]SULFANYL}ETHAN-1-ONE
1-{[(2-METHYLPHENYL)METHYL]SULFANYL}ETHANONE
MFCD24369768
Thioacetic acid S-(2-methyl-benzyl) ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 268.9±19.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 50.7±3.0 kJ/mol
    Flash Point: 109.8±15.0 °C
    Index of Refraction: 1.555
    Molar Refractivity: 53.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): 2.76
    ACD/BCF (pH 5.5): 73.67
    ACD/KOC (pH 5.5): 755.49
    ACD/LogD (pH 7.4): 2.76
    ACD/BCF (pH 7.4): 73.67
    ACD/KOC (pH 7.4): 755.49
    Polar Surface Area: 42 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 166.1±3.0 cm3

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