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Search term: MF = 'C_{8}H_{15}NO_{2}S'
ChemSpider 2D Image | 2-[[2-(1-Pyrrolidinyl)ethyl]thio]acetic acid | C8H15NO2S

2-[[2-(1-Pyrrolidinyl)ethyl]thio]acetic acid

  • Molecular FormulaC8H15NO2S
  • Average mass189.275 Da
  • Monoisotopic mass189.082352 Da
  • ChemSpider ID21612633

More details:

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

{[2-(1-Pyrrolidinyl)ethyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[2-(1-Pyrrolidinyl)ethyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}acetic acid
2-[[2-(1-Pyrrolidinyl)ethyl]thio]acetic acid
915924-49-1 [RN]
Acetic acid, 2-[[2-(1-pyrrolidinyl)ethyl]thio]- [ACD/Index Name]
Acide {[2-(1-pyrrolidinyl)éthyl]sulfanyl}acétique [French] [ACD/IUPAC Name]
([2-(1-Pyrrolidinyl)ethyl]thio)acetic acid hydrochloride
[(2-pyrrolidin-1-ylethyl)thio]acetic acid
2-((2-(Pyrrolidin-1-yl)ethyl)thio)acetic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD08691658 [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: 330.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 63.0±6.0 kJ/mol
    Flash Point: 153.5±23.7 °C
    Index of Refraction: 1.544
    Molar Refractivity: 50.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.22
    ACD/LogD (pH 5.5): -1.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 19.9±0.5 10-24cm3
    Surface Tension: 49.6±3.0 dyne/cm
    Molar Volume: 159.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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