3-ethyl-2-[2-(3-ethyl-6-sulfo-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid

• ChemBase ID: 106689
• Molecular Formular: C18H18N4O6S4
• Molecular Mass: 514.61872
• Monoisotopic Mass: 514.01091832
• SMILES: CCn1/c(=N/N=c/2\sc3c(ccc(c3)S(=O)(=O)O)n2CC)/sc2c1ccc(c2)S(=O)(=O)O
• Canonical SMILES: CCn1/c(=N/N=c/2\sc3c(n2CC)ccc(c3)S(=O)(=O)O)/sc2c1ccc(c2)S(=O)(=O)O
• InChI: InChI=1S/C18H18N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)
• InChIKey: ZTOJFFHGPLIVKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-2-[2-(3-ethyl-6-sulfo-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid; (2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfo-2,3-dihydro-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid
• IUPAC Traditional name: 3-ethyl-2-[2-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]-1,3-benzothiazole-6-sulfonic acid; ABTS
• Synonyms: 2,2'-AZINO-bis-(3-ETHYLBENZTHIAZOLINE-6-SULFONIC ACID) SOLUTION; 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)

Database IDs

• MDL Number: MFCD00214141
• PubChem SID: 162093180; 24890730
• PubChem CID: 5815211

CALCULATED PROPERTIES

• Acid pKa: -2.6771793
• H Acceptors: 10
• H Donor: 2
• LogD (pH = 5.5): -1.586373
• LogD (pH = 7.4): -1.5863785
• Log P: -0.5591836
• Molar Refractivity: 127.141 cm^3
• Polarizability: 48.677036 Å^3
• Polar Surface Area: 139.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

DETAILS

MP Biomedicals - 04821810

(ABTS) Stabilized Liquid Substrate A safe, convenient and good overall performing substrate for ELISA. It may be used for both kinetic and endpoint reactions. Supplied ready-to-use at 1.46 mmol/liter.

MP Biomedicals - 04821809

Stabilized Liquid Substrate
A safe, convenient and good overall performing substrate for ELISA. It may be used for both kinetic and endpoint reactions. Supplied ready-to-use at 1.46 mmol/liter.

Sigma Aldrich - A3219

Frequently Asked Questions
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Physical form
Ready-to-use.