ChemSpider 2D Image | 2-[(2,4-Difluorobenzyl)sulfanyl]-6-ethyl-6H-pyrimido[5,4-c][2,1]benzothiazine 5,5-dioxide | C19H15F2N3O2S2

2-[(2,4-Difluorobenzyl)sulfanyl]-6-ethyl-6H-pyrimido[5,4-c][2,1]benzothiazine 5,5-dioxide

  • Molecular FormulaC19H15F2N3O2S2
  • Average mass419.468 Da
  • Monoisotopic mass419.057373 Da
  • ChemSpider ID27308091

More details:

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

2-[(2,4-Difluorbenzyl)sulfanyl]-6-ethyl-6H-pyrimido[5,4-c][2,1]benzothiazin-5,5-dioxid [German] [ACD/IUPAC Name]
2-[(2,4-Difluorobenzyl)sulfanyl]-6-ethyl-6H-pyrimido[5,4-c][2,1]benzothiazine 5,5-dioxide [ACD/IUPAC Name]
5,5-Dioxyde de 2-[(2,4-difluorobenzyl)sulfanyl]-6-éthyl-6H-pyrimido[5,4-c][2,1]benzothiazine [French] [ACD/IUPAC Name]
6H-Pyrimido[5,4-c][2,1]benzothiazine, 2-[[(2,4-difluorophenyl)methyl]thio]-6-ethyl-, 5,5-dioxide [ACD/Index Name]
1326828-38-9 [RN]
3-(2,4-Difluoro-benzylsulfanyl)-9-ethyl-9H-10-thia-2,4,9-triaza-phenanthrene 10,10-dioxide
4-{[(2,4-difluorophenyl)methyl]sulfanyl}-9-ethyl-8λ6-thia-3,5,9-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene-8,8-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 623.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.7±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 367.01
ACD/KOC (pH 5.5): 2384.54
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 367.01
ACD/KOC (pH 7.4): 2384.54
Polar Surface Area: 97 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 273.3±5.0 cm3

Click to predict properties on the Chemicalize site


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