ChemSpider 2D Image | 2-[(4-Allyl-5-{[(4-iodophenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E)-2-methylpropylidene]acetohydrazide | C18H23IN6OS

2-[(4-Allyl-5-{[(4-iodophenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E)-2-methylpropylidene]acetohydrazide

  • Molecular FormulaC18H23IN6OS
  • Average mass498.384 Da
  • Monoisotopic mass498.069855 Da
  • ChemSpider ID62658798

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(4-Allyl-5-{[(4-iodophenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E)-2-methylpropylidene]acetohydrazide [ACD/IUPAC Name]
2-[(4-Allyl-5-{[(4-iodophényl)amino]méthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E)-2-méthylpropylidène]acétohydrazide [French] [ACD/IUPAC Name]
2-[(4-Allyl-5-{[(4-iodphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E)-2-methylpropyliden]acetohydrazid [German] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[[(4-iodophenyl)amino]methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1E)-2-methylpropylidene]hydrazide [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 120.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.90
ACD/KOC (pH 5.5): 1968.96
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 281.00
ACD/KOC (pH 7.4): 1969.63
Polar Surface Area: 110 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 326.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement