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Search term: MF = 'C_{8}H_{7}ClO_{2}S'
ChemSpider 2D Image | 3-Chloro-4-(methylsulfanyl)benzoic acid | C8H7ClO2S

3-Chloro-4-(methylsulfanyl)benzoic acid

  • Molecular FormulaC8H7ClO2S
  • Average mass202.658 Da
  • Monoisotopic mass201.985519 Da
  • ChemSpider ID28142240

More details:

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

3-Chlor-4-(methylsulfanyl)benzoesäure [German] [ACD/IUPAC Name]
3-Chloro-4-(methylsulfanyl)benzoic acid [ACD/IUPAC Name]
Acide 3-chloro-4-(méthylsulfanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-4-(methylthio)- [ACD/Index Name]
[121120-08-9] [RN]
121120-08-9 [RN]
3-Chloro-4-(methylsulfanyl)benzoicacid
3-Chloro-4-(methylthio)benzoic acid
3-chloro-4-methylsulfanyl-benzoic acid
95%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 329.0±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 152.8±25.1 °C
    Index of Refraction: 1.627
    Molar Refractivity: 50.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 5.18
    ACD/KOC (pH 5.5): 39.97
    ACD/LogD (pH 7.4): 0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.60
    Polar Surface Area: 63 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 58.4±5.0 dyne/cm
    Molar Volume: 142.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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