ChemSpider 2D Image | N-[5-(1,3-Benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide | C16H9ClN4OS3

N-[5-(1,3-Benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide

  • Molecular FormulaC16H9ClN4OS3
  • Average mass404.917 Da
  • Monoisotopic mass403.962708 Da
  • ChemSpider ID23185942

More details:

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

Benzamide, N-[5-(2-benzothiazolylthio)-1,3,4-thiadiazol-2-yl]-4-chloro- [ACD/Index Name]
N-[5-(1,3-Benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-chlorbenzamid [German] [ACD/IUPAC Name]
N-[5-(1,3-Benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide [ACD/IUPAC Name]
N-[5-(1,3-Benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide [French] [ACD/IUPAC Name]
N-[5-(Benzothiazol-2-ylsulfanyl)-[1,3,4]thiadiazol-2-yl]-4-chloro-benzamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.787
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1416.26
ACD/KOC (pH 5.5): 6227.48
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 518.73
ACD/KOC (pH 7.4): 2280.91
Polar Surface Area: 150 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 95.0±5.0 dyne/cm
Molar Volume: 247.9±5.0 cm3

Click to predict properties on the Chemicalize site


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