ChemSpider 2D Image | 1-(1,2-thiazol-4-yl)methanamine | C4H6N2S

1-(1,2-thiazol-4-yl)methanamine

  • Molecular FormulaC4H6N2S
  • Average mass114.169 Da
  • Monoisotopic mass114.025169 Da
  • ChemSpider ID21784019

More details:

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

1-(1,2-Thiazol-4-yl)methanamin [German] [ACD/IUPAC Name]
1-(1,2-thiazol-4-yl)methanamine
1-(1,2-Thiazol-4-yl)méthanamine [French] [ACD/IUPAC Name]
1083246-51-8 [RN]
(1,2-thiazol-4-yl)methanamine
(4-ISOTHIAZOLYLMETHYL)AMINE
(Isothiazol-4-yl)methanamine
1,2-thiazol-4-ylmethanamine
1-ISOTHIAZOL-4-YLMETHANAMINE
4-(aminomethyl)isothiazole
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 118.0±22.0 °C at 760 mmHg
    Vapour Pressure: 17.0±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 35.6±3.0 kJ/mol
    Flash Point: 25.2±22.3 °C
    Index of Refraction: 1.592
    Molar Refractivity: 31.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.32
    ACD/LogD (pH 5.5): -2.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.56
    Polar Surface Area: 67 Å2
    Polarizability: 12.4±0.5 10-24cm3
    Surface Tension: 54.6±3.0 dyne/cm
    Molar Volume: 92.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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