ChemSpider 2D Image | (1,1-Dioxidotetrahydro-2-thiophenyl)acetic acid | C6H10O4S

(1,1-Dioxidotetrahydro-2-thiophenyl)acetic acid

  • Molecular FormulaC6H10O4S
  • Average mass178.206 Da
  • Monoisotopic mass178.029984 Da
  • ChemSpider ID58213174

More details:

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

(1,1-Dioxidotetrahydro-2-thiophenyl)acetic acid [ACD/IUPAC Name]
(1,1-Dioxidotetrahydro-2-thiophenyl)essigsäure [German] [ACD/IUPAC Name]
2-Thiopheneacetic acid, tetrahydro-, 1,1-dioxide [ACD/Index Name]
Acide (1,1-dioxydotétrahydro-2-thiophényl)acétique [French] [ACD/IUPAC Name]
1781610-08-9 [RN]
2-(1,1-dioxidotetrahydrothiophen-2-yl)acetic acid
2-(1,1-dioxo-1λ6-thiolan-2-yl)acetic acid
MFCD30002757

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 464.6±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 79.6±6.0 kJ/mol
    Flash Point: 234.8±21.2 °C
    Index of Refraction: 1.512
    Molar Refractivity: 38.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.25
    ACD/LogD (pH 5.5): -2.58
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 127.5±3.0 cm3

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