ChemSpider 2D Image | 2-{[4-Amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide | C16H17N9O5S3

2-{[4-Amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

  • Molecular FormulaC16H17N9O5S3
  • Average mass511.559 Da
  • Monoisotopic mass511.051483 Da
  • ChemSpider ID68824802

More details:

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

2-{[4-Amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamid [German] [ACD/IUPAC Name]
2-{[4-Amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(3,5-dinitrophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.826
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.03
ACD/KOC (pH 5.5): 878.02
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 69.46
ACD/KOC (pH 7.4): 669.97
Polar Surface Area: 282 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 91.7±7.0 dyne/cm
Molar Volume: 286.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement