2,2'-Azino-Bis(3-Ethylbenzthiazoline-6-Sulphonic Acid

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Properties Simple | Detailed

Formula C18H18N4O6S4
IUPAC Name [(e)-(3-ethyl-6-sulfonato-1,3-benzothiazole-3a,6-diid-2-ylidene)amino]-(3-ethyl-6-sulfonato-1,3-benzothiazole-2,3a,6-triid-2-yl)azanide
Molecular Mass 514.619 g·mol−1
Heat of Formation -687.7 ± 16.7 kJ·mol−1
Dipole Moment 8.21 ± 1.08 D
Volume 528.69 Å 3
Surface Area 449.17 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-3-ethyl-2-[(z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
  • (2e)-3-ethyl-2-[(z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazono]-1,3-benzothiazole-6-sulfonic acid
  • 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
  • 2,2'-azinodi-(3-ethylbenzothiazoline)-(6)-sulfonic acid, ammonium salt
InChIKey ZTOJFFHGPLIVKC-YAFCTCPESA-N
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