Found 1188 results

Search term: MF = 'C_{17}H_{18}O_{3}S'
ChemSpider 2D Image | 4-{2-[(3-Methylbenzyl)sulfanyl]ethoxy}benzoic acid | C17H18O3S

4-{2-[(3-Methylbenzyl)sulfanyl]ethoxy}benzoic acid

  • Molecular FormulaC17H18O3S
  • Average mass302.388 Da
  • Monoisotopic mass302.097656 Da
  • ChemSpider ID29342408

More details:

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

4-{2-[(3-Methylbenzyl)sulfanyl]ethoxy}benzoesäure [German] [ACD/IUPAC Name]
4-{2-[(3-Methylbenzyl)sulfanyl]ethoxy}benzoic acid [ACD/IUPAC Name]
Acide 4-{2-[(3-méthylbenzyl)sulfanyl]éthoxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[[(3-methylphenyl)methyl]thio]ethoxy]- [ACD/Index Name]
1410122-92-7 [RN]
4-(2-((3-methylbenzyl)thio)ethoxy)benzoic acid
4-(2-{[(3-METHYLPHENYL)METHYL]SULFANYL}ETHOXY)BENZOIC ACID
4-[2-(3-Methyl-benzylsulfanyl)-ethoxy]-benzoic acid
4-[2-[(3-methylphenyl)methylsulfanyl]ethoxy]benzoic acid
VS-08429

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 481.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.6±3.0 kJ/mol
    Flash Point: 245.2±25.9 °C
    Index of Refraction: 1.608
    Molar Refractivity: 86.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.75
    ACD/LogD (pH 5.5): 3.82
    ACD/BCF (pH 5.5): 257.76
    ACD/KOC (pH 5.5): 898.88
    ACD/LogD (pH 7.4): 2.18
    ACD/BCF (pH 7.4): 5.80
    ACD/KOC (pH 7.4): 20.24
    Polar Surface Area: 72 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 249.9±3.0 cm3

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