ChemSpider 2D Image | 1-{4-[(4-Nitrophenyl)sulfonyl]-1-piperazinyl}-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone | C14H15N5O5S3

1-{4-[(4-Nitrophenyl)sulfonyl]-1-piperazinyl}-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

  • Molecular FormulaC14H15N5O5S3
  • Average mass429.494 Da
  • Monoisotopic mass429.023529 Da
  • ChemSpider ID128034655

More details:

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

1-{4-[(4-Nitrophenyl)sulfonyl]-1-piperazinyl}-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanon [German] [ACD/IUPAC Name]
1-{4-[(4-Nitrophenyl)sulfonyl]-1-piperazinyl}-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone [ACD/IUPAC Name]
1-{4-[(4-Nitrophényl)sulfonyl]-1-pipérazinyl}-2-(1,3,4-thiadiazol-2-ylsulfanyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl]-2-(1,3,4-thiadiazol-2-ylthio)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 682.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.8±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.34
ACD/KOC (pH 5.5): 144.97
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.34
ACD/KOC (pH 7.4): 144.97
Polar Surface Area: 191 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 94.9±5.0 dyne/cm
Molar Volume: 260.0±5.0 cm3

Click to predict properties on the Chemicalize site


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