ChemSpider 2D Image | 5-{[(6-Chloro-1,3-benzothiazol-2-yl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione | C14H11ClN2O4S

5-{[(6-Chloro-1,3-benzothiazol-2-yl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione

  • Molecular FormulaC14H11ClN2O4S
  • Average mass338.766 Da
  • Monoisotopic mass338.012817 Da
  • ChemSpider ID17920090

More details:

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

1,3-Dioxane-4,6-dione, 5-[[(6-chloro-2-benzothiazolyl)amino]methylene]-2,2-dimethyl- [ACD/Index Name]
5-{[(6-Chlor-1,3-benzothiazol-2-yl)amino]methylen}-2,2-dimethyl-1,3-dioxan-4,6-dion [German] [ACD/IUPAC Name]
5-{[(6-Chloro-1,3-benzothiazol-2-yl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione [ACD/IUPAC Name]
5-{[(6-Chloro-1,3-benzothiazol-2-yl)amino]méthylène}-2,2-diméthyl-1,3-dioxane-4,6-dione [French] [ACD/IUPAC Name]
402557-55-5 [RN]
5-(((6-chlorobenzo[d]thiazol-2-yl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
5-[(6-Chloro-benzothiazol-2-ylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione
5-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
5-{[(6-chloro-1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

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

Density: 1.6±0.1 g/cm3
Boiling Point: 566.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.5±32.9 °C
Index of Refraction: 1.739
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.13
ACD/KOC (pH 5.5): 369.51
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.13
ACD/KOC (pH 7.4): 369.52
Polar Surface Area: 106 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 79.3±3.0 dyne/cm
Molar Volume: 213.3±3.0 cm3

Click to predict properties on the Chemicalize site


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