ChemSpider 2D Image | (3E)-3-{Hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylene}-2-(~2~H_3_)methyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide | C14H10D3N3O4S2

(3E)-3-{Hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylene}-2-(2H3)methyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide

  • Molecular FormulaC14H10D3N3O4S2
  • Average mass354.419 Da
  • Monoisotopic mass354.053589 Da
  • ChemSpider ID17340089

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(3E) 1,1-Dioxyde de 3-{hydroxy[(5-méthyl-1,3-thiazol-2-yl)amino]méthylène}-2-(2H3)méthyl-2,3-dihydro-4H-1,2-benzothiazin-4-one [French] [ACD/IUPAC Name]
(3E)-3-{Hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylen}-2-(2H3)methyl-2,3-dihydro-4H-1,2-benzothiazin-4-on-1,1-dioxid [German] [ACD/IUPAC Name]
(3E)-3-{Hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylene}-2-(2H3)methyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide [ACD/IUPAC Name]
4H-1,2-Benzothiazin-4-one, 2,3-dihydro-3-[hydroxy[(5-methyl-2-thiazolyl)amino]methylene]-2-(methyl-d3)-, 1,1-dioxide, (3E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 520.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 268.8±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 86.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.90
ACD/KOC (pH 5.5): 37.64
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 219.6±3.0 cm3

Click to predict properties on the Chemicalize site


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