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Search term: UTMMGDYTYRXGIE-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 4-methyl-N-(1-{[(3-thioxo-5,6-dihydro-7H-imidazo[2,1-c][1,2,4]thiadiazol-7-yl)sulfanyl]carbothioyl}-4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide | C15H16N6O2S5

4-methyl-N-(1-{[(3-thioxo-5,6-dihydro-7H-imidazo[2,1-c][1,2,4]thiadiazol-7-yl)sulfanyl]carbothioyl}-4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide

  • Molecular FormulaC15H16N6O2S5
  • Average mass472.651 Da
  • Monoisotopic mass471.993835 Da
  • ChemSpider ID23271778

More details:






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

4-Methyl-N-(1-{[(3-thioxo-5,6-dihydro-7H-imidazo[2,1-c][1,2,4]thiadiazol-7-yl)sulfanyl]carbonothioyl}-4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide [ACD/IUPAC Name]
4-Méthyl-N-(1-{[(3-thioxo-5,6-dihydro-7H-imidazo[2,1-c][1,2,4]thiadiazol-7-yl)sulfanyl]carbonothioyl}-4,5-dihydro-1H-imidazol-2-yl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-Methyl-N-(1-{[(3-thioxo-5,6-dihydro-7H-imidazo[2,1-c][1,2,4]thiadiazol-7-yl)sulfanyl]carbonothioyl}-4,5-dihydro-1H-imidazol-2-yl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-methyl-N-(1-{[(3-thioxo-5,6-dihydro-7H-imidazo[2,1-c][1,2,4]thiadiazol-7-yl)sulfanyl]carbothioyl}-4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide
Benzenesulfonamide, N-[1-[[(5,6-dihydro-3-thioxo-3H,7H-imidazo[2,1-c][1,2,4]thiadiazol-7-yl)thio]thioxomethyl]-4,5-dihydro-1H-imidazol-2-yl]-4-methyl- [ACD/Index Name]
2-(Toluene-4-sulfonylimino)-imidazolidine-1-carbodithioic acid 3-thioxo-5,6-dihydro-imidazo[2,1-c][1,2,4]thiadiazol-7-yl ester
2-[(E)-toluene-4-sulfonylimino]-imidazolidine-1-carbodithioic acid 3-thioxo-5,6-dihydro-imidazo[2,1-c][1,2,4]thiadiazol-7-yl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 611.9±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.9±29.6 °C
Index of Refraction: 1.857
Molar Refractivity: 122.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.72
ACD/KOC (pH 5.5): 71.12
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 44.58
Polar Surface Area: 204 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 76.9±7.0 dyne/cm
Molar Volume: 272.2±7.0 cm3

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