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Search term: MF = 'C_{8}H_{15}NO_{2}S'
ChemSpider 2D Image | Methyl (4-aminotetrahydro-2H-thiopyran-4-yl)acetate | C8H15NO2S

Methyl (4-aminotetrahydro-2H-thiopyran-4-yl)acetate

  • Molecular FormulaC8H15NO2S
  • Average mass189.275 Da
  • Monoisotopic mass189.082352 Da
  • ChemSpider ID30806019

More details:

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

(4-Aminotétrahydro-2H-thiopyrane-4-yl)acétate de méthyle [French] [ACD/IUPAC Name]
2H-Thiopyran-4-acetic acid, 4-aminotetrahydro-, methyl ester [ACD/Index Name]
Methyl (4-aminotetrahydro-2H-thiopyran-4-yl)acetate [ACD/IUPAC Name]
Methyl-(4-aminotetrahydro-2H-thiopyran-4-yl)acetat [German] [ACD/IUPAC Name]
(4-Amino-tetrahydro-thiopyran-4-yl)-acetic acid methyl ester
742048-28-8 [RN]
AGN-PC-0A9GO2
AKOS016382426
BBL033667
Methyl 2-(4-aminotetrahydro-2H-thiopyran-4-yl)acetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 274.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.3±3.0 kJ/mol
    Flash Point: 119.7±23.2 °C
    Index of Refraction: 1.507
    Molar Refractivity: 50.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.62
    ACD/LogD (pH 5.5): -1.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 20.58
    Polar Surface Area: 78 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 44.9±3.0 dyne/cm
    Molar Volume: 169.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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