ChemSpider 2D Image | (2E)-3-Ethyl-2-[(2Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2(3H)-ylidene)hydrazono]-2,3-dihydro-1,3-benzothiazol-3-ium-6-sulfonate | C18H17N4O6S4

(2E)-3-Ethyl-2-[(2Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2(3H)-ylidene)hydrazono]-2,3-dihydro-1,3-benzothiazol-3-ium-6-sulfonate

  • Molecular FormulaC18H17N4O6S4
  • Average mass513.611 Da
  • Monoisotopic mass513.003662 Da
  • ChemSpider ID128920339

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Ethyl-2-[(2Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2(3H)-yliden)hydrazono]-2,3-dihydro-1,3-benzothiazol-3-ium-6-sulfonat [German] [ACD/IUPAC Name]
(2E)-3-Ethyl-2-[(2Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2(3H)-ylidene)hydrazono]-2,3-dihydro-1,3-benzothiazol-3-ium-6-sulfonate [ACD/IUPAC Name]
(2E)-3-Éthyl-2-[(2Z)-(3-éthyl-6-sulfonato-1,3-benzothiazol-2(3H)-ylidène)hydrazono]-2,3-dihydro-1,3-benzothiazol-3-ium-6-sulfonate [French] [ACD/IUPAC Name]
6-Benzothiazolesulfonic acid, 3-ethyl-2-[(2E)-2-(3-ethyl-6-sulfo-2(3H)-benzothiazolylidene)hydrazinylidene]-2,3-dihydro-, inner salt, ion(1-), (2Z)- [ACD/Index Name]
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid radical cation
2,2'-azino-di-(3-ethylbenzothiazoline-6-sulfonate) radical cation
ABTS radical cation

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability:
Surface Tension:
Molar Volume:

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