ChemSpider 2D Image | (E)-N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N'-(~2~H_3_)methyl-2-nitro-1,1-ethenediamine | C12H18D3N5O2S2

(E)-N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N'-(2H3)methyl-2-nitro-1,1-ethenediamine

  • Molecular FormulaC12H18D3N5O2S2
  • Average mass334.476 Da
  • Monoisotopic mass334.132507 Da
  • ChemSpider ID57530477

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(E)-N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N'-(2H3)methyl-2-nitro-1,1-ethendiamin [German] [ACD/IUPAC Name]
(E)-N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N'-(2H3)methyl-2-nitro-1,1-ethenediamine [ACD/IUPAC Name]
(E)-N-{2-[({2-[(Diméthylamino)méthyl]-1,3-thiazol-4-yl}méthyl)sulfanyl]éthyl}-N'-(2H3)méthyl-2-nitro-1,1-éthènediamine [French] [ACD/IUPAC Name]
1,1-Ethenediamine, N-[2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N'-(methyl-d3)-2-nitro-, (E)- [ACD/Index Name]
(E)-1-N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-nitro-1-N'-(trideuteriomethyl)ethene-1,1-diamine
(E)-N1-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N'1-(2H3)methyl-2-nitroethene-1,1-diamine
1246833-99-7 [RN]
nizatidine d3
Nizatidine-d3

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 478.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.2±3.0 kJ/mol
    Flash Point: 243.0±28.7 °C
    Index of Refraction: 1.592
    Molar Refractivity: 89.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 1.18
    ACD/LogD (pH 5.5): -1.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 18.06
    Polar Surface Area: 140 Å2
    Polarizability: 35.6±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 265.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement