ChemSpider 2D Image | N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-methylbenzene-1-sulfonamide | C12H16N4O2S2

N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-methylbenzene-1-sulfonamide

  • Molecular FormulaC12H16N4O2S2
  • Average mass312.411 Da
  • Monoisotopic mass312.071472 Da
  • ChemSpider ID17815678

More details:

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

917750-41-5 [RN]
Benzenesulfonamide, N-[(4-ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-methyl- [ACD/Index Name]
N-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-methylbenzene-1-sulfonamide
N-[(4-Ethyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-[(4-Éthyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)méthyl]-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-[(4-Ethyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
MFCD08898622
N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-methylbenzenesulfonamide
N-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-4-methyl-benzenesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.2±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 82.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 31.16
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 124 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 221.0±7.0 cm3

Click to predict properties on the Chemicalize site


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