ChemSpider 2D Image | N-Cyclododecyl-2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazinecarbothioamide | C18H31N7O3S

N-Cyclododecyl-2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazinecarbothioamide

  • Molecular FormulaC18H31N7O3S
  • Average mass425.549 Da
  • Monoisotopic mass425.220917 Da
  • ChemSpider ID102420434

More details:

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

1H-1,2,4-Triazole-1-propanoic acid, 3-nitro-, 2-[(cyclododecylamino)thioxomethyl]hydrazide [ACD/Index Name]
N-Cyclododecyl-2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazincarbothioamid [German] [ACD/IUPAC Name]
N-Cyclododecyl-2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazinecarbothioamide [ACD/IUPAC Name]
N-Cyclododécyl-2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazinecarbothioamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 113.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.72
ACD/KOC (pH 5.5): 578.31
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.51
ACD/KOC (pH 7.4): 564.50
Polar Surface Area: 162 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 310.9±7.0 cm3

Click to predict properties on the Chemicalize site


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