ChemSpider 2D Image | 2-{3-Methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-1,2-thiazolidin-3-one 1,1-dioxide | C15H21N3O5S2

2-{3-Methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-1,2-thiazolidin-3-one 1,1-dioxide

  • Molecular FormulaC15H21N3O5S2
  • Average mass387.474 Da
  • Monoisotopic mass387.092255 Da
  • ChemSpider ID21834250

More details:

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

1,1-Dioxyde de 2-{3-méthyl-4-[(4-méthyl-1-pipérazinyl)sulfonyl]phényl}-1,2-thiazolidin-3-one [French] [ACD/IUPAC Name]
2-{3-Methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-1,2-thiazolidin-3-on-1,1-dioxid [German] [ACD/IUPAC Name]
2-{3-Methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-1,2-thiazolidin-3-one 1,1-dioxide [ACD/IUPAC Name]
2-{3-Methyl-4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1,2-thiazolidin-3-one 1,1-dioxide
3-Isothiazolidinone, 2-[3-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-, 1,1-dioxide [ACD/Index Name]
1015568-87-2 [RN]
2-(3-methyl-4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)isothiazolidin-3-one 1,1-dioxide
2-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
2-{3-methyl-4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1λ6,2-thiazolidine-1,1,3-trione
2-{3-methyl-4-[(4-methylpiperazinyl)sulfonyl]phenyl}-2,4,5-trihydroisothiazole-1,1,3-trione
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 585.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.8±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.05
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.53
Polar Surface Area: 112 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 269.7±3.0 cm3

Click to predict properties on the Chemicalize site


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