Found 2086 results

Search term: MF = 'C_{13}H_{14}O_{3}S'
ChemSpider 2D Image | Ethyl [4-(cyclopropylsulfanyl)phenyl](oxo)acetate | C13H14O3S

Ethyl [4-(cyclopropylsulfanyl)phenyl](oxo)acetate

  • Molecular FormulaC13H14O3S
  • Average mass250.314 Da
  • Monoisotopic mass250.066360 Da
  • ChemSpider ID24599535

More details:

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

[4-(Cyclopropylsulfanyl)phényl](oxo)acétate d'éthyle [French] [ACD/IUPAC Name]
745052-94-2 [RN]
Benzeneacetic acid, 4-(cyclopropylthio)-α-oxo-, ethyl ester [ACD/Index Name]
Ethyl [4-(cyclopropylsulfanyl)phenyl](oxo)acetate [ACD/IUPAC Name]
Ethyl-[4-(cyclopropylsulfanyl)phenyl](oxo)acetat [German] [ACD/IUPAC Name]
(4-cyclopropylsulfanyl-phenyl)-oxo-acetic acid ethyl ester
[745052-94-2] [RN]
1-(Methylsulfonyl)piperidine-3-carboxylic acid
Benzeneacetic acid, 4-(cyclopropylthio)-a-oxo-ethyl ester
ethyl 2-(4-(cyclopropylsulfanyl)phenyl)-2-oxoacetate
More...

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

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 383.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.2±3.0 kJ/mol
    Flash Point: 186.6±11.2 °C
    Index of Refraction: 1.583
    Molar Refractivity: 67.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 126.40
    ACD/KOC (pH 5.5): 1111.81
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 126.40
    ACD/KOC (pH 7.4): 1111.81
    Polar Surface Area: 69 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 49.9±5.0 dyne/cm
    Molar Volume: 200.9±5.0 cm3

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