ChemSpider 2D Image | 1-[3-(2-Thienylmethyl)-1,2,4-oxadiazol-5-yl]methanamine | C8H9N3OS

1-[3-(2-Thienylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

  • Molecular FormulaC8H9N3OS
  • Average mass195.242 Da
  • Monoisotopic mass195.046631 Da
  • ChemSpider ID21800477

More details:

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

(3-(Thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)methanamine
1,2,4-Oxadiazole-5-methanamine, 3-(2-thienylmethyl)- [ACD/Index Name]
1-[3-(2-Thienylmethyl)-1,2,4-oxadiazol-5-yl]methanamin [German] [ACD/IUPAC Name]
1-[3-(2-Thienylmethyl)-1,2,4-oxadiazol-5-yl]methanamine [ACD/IUPAC Name]
1-[3-(2-Thiénylméthyl)-1,2,4-oxadiazol-5-yl]méthanamine [French] [ACD/IUPAC Name]
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
933708-44-2 [RN]
MFCD11505302 [MDL number]
[3-(2-thienylmethyl)-1,2,4-oxadiazol-5-yl]methylamine
[3-(thien-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methylamine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12027100 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 362.5±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 173.0±30.7 °C
    Index of Refraction: 1.606
    Molar Refractivity: 50.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.48
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.00
    ACD/LogD (pH 7.4): 0.44
    ACD/BCF (pH 7.4): 1.24
    ACD/KOC (pH 7.4): 39.75
    Polar Surface Area: 93 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 59.4±3.0 dyne/cm
    Molar Volume: 147.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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