ChemSpider 2D Image | N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2,5-dihydro-1,2,5-thiadiazole-3,4-diamine 1-oxide | C13H23N5O2S2

N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2,5-dihydro-1,2,5-thiadiazole-3,4-diamine 1-oxide

  • Molecular FormulaC13H23N5O2S2
  • Average mass345.484 Da
  • Monoisotopic mass345.129303 Da
  • ChemSpider ID25992394

More details:

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

1,2,5-Thiadiazole-3,4-diamine, N3-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,5-dihydro-N4-methyl-, 1-oxide [ACD/Index Name]
1-Oxyde de N-{2-[({5-[(diméthylamino)méthyl]-2-furyl}méthyl)sulfanyl]éthyl}-N'-méthyl-2,5-dihydro-1,2,5-thiadiazole-3,4-diamine [French] [ACD/IUPAC Name]
N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2,5-dihydro-1,2,5-thiadiazol-3,4-diamin-1-oxid [German] [ACD/IUPAC Name]
N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2,5-dihydro-1,2,5-thiadiazole-3,4-diamine 1-oxide [ACD/IUPAC Name]
N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 480.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.1±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 126 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 255.2±5.0 cm3

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