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ChemSpider 2D Image | (3Z)-3-{Hydroxy[(5-hydroxy-2-pyridinyl)amino]methylene}-2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2]thiazin-4-one 1,1-dioxide | C13H11N3O5S2

(3Z)-3-{Hydroxy[(5-hydroxy-2-pyridinyl)amino]methylene}-2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2]thiazin-4-one 1,1-dioxide

  • Molecular FormulaC13H11N3O5S2
  • Average mass353.374 Da
  • Monoisotopic mass353.014008 Da
  • ChemSpider ID30776733
  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z) 1,1-Dioxyde de 3-{hydroxy[(5-hydroxy-2-pyridinyl)amino]méthylène}-2-méthyl-2,3-dihydro-4H-thiéno[2,3-e][1,2]thiazin-4-one [French] [ACD/IUPAC Name]
(3Z)-3-{Hydroxy[(5-hydroxy-2-pyridinyl)amino]methylen}-2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2]thiazin-4-on-1,1-dioxid [German] [ACD/IUPAC Name]
(3Z)-3-{Hydroxy[(5-hydroxy-2-pyridinyl)amino]methylene}-2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2]thiazin-4-one 1,1-dioxide [ACD/IUPAC Name]
4H-Thieno[2,3-e]-1,2-thiazin-4-one, 2,3-dihydro-3-[hydroxy[(5-hydroxy-2-pyridinyl)amino]methylene]-2-methyl-, 1,1-dioxide, (3Z)- [ACD/Index Name]

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 644.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±34.3 °C
Index of Refraction: 1.758
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.33
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 100.4±3.0 dyne/cm
Molar Volume: 201.7±3.0 cm3

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