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

(Z)-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 ID62856285

  • 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

(Z)-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]
(Z)-N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N'-(2H3)methyl-2-nitro-1,1-ethenediamine [ACD/IUPAC Name]
(Z)-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-, (Z)- [ACD/Index Name]
1246833-99-7 [RN]

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


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