diammonium 3-ethyl-2-[2-(3-ethyl-6-sulfonato-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]-2,3-dihydro-1,3-benzothiazole-6-sulfonate

• ChemBase ID: 132958
• Molecular Formular: C18H24N6O6S4
• Molecular Mass: 548.67976
• Monoisotopic Mass: 548.06401652
• SMILES: CCn1/c(=N/N=c/2\sc3c(n2CC)ccc(c3)S(=O)(=O)[O-])/sc2c1ccc(c2)S(=O)(=O)[O-].[NH4+].[NH4+]
• Canonical SMILES: CCn1/c(=N/N=c/2\sc3c(n2CC)ccc(c3)S(=O)(=O)[O-])/sc2c1ccc(c2)S(=O)(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/C18H18N4O6S4.2H3N/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);2*1H3/b19-17-,20-18-
• InChIKey: OHDRQQURAXLVGJ-AXMZSLBLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium 3-ethyl-2-[2-(3-ethyl-6-sulfonato-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]-2,3-dihydro-1,3-benzothiazole-6-sulfonate; diammonium (2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfonato-2,3-dihydro-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-2,3-dihydro-1,3-benzothiazole-6-sulfonate
• IUPAC Traditional name: diammonium 3-ethyl-2-[2-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]-1,3-benzothiazole-6-sulfonate; diammonium (2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-1,3-benzothiazole-6-sulfonate
• Synonyms: AzBTS-(NH4)2; Diammonium 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonate); 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt; 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) 二铵盐

Database IDs

• CAS Number: 30931-67-0
• EC Number: 250-396-6
• MDL Number: MFCD00010404
• Beilstein Number: 7329461
• PubChem SID: 162227235; 24891410; 24890599
• PubChem CID: 9570474

CALCULATED PROPERTIES

• Acid pKa: -2.6771793
• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): -1.586373
• LogD (pH = 7.4): -1.5863785
• Log P: -0.5591836
• Molar Refractivity: 124.8976 cm^3
• Polarizability: 48.489956 Å^3
• Polar Surface Area: 145.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 0.05 M phosphate-citrate buffer, pH 5.0: soluble1 tablet/100mL, clear, light green
• Apperance: tablet

Safety Information

• RTECS: DL7002000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98% (HPLC)
• Concentration: 10 mg/tablet ABTS
• Suitability: suitable as substrate for peroxidase test
• Empirical Formula (Hill Notation): C18H24N6O6S4

DETAILS

Sigma Aldrich - A1888

Application
2,2′-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is green in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 1% sodium dodecyl sulfate (SDS). Recommended for ELISA (microwell) procedures, not recommended for membrane applications.

Sigma Aldrich - A9941

Application
2,2′-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is green in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 1% sodium dodecyl sulfate (SDS). Recommended for ELISA (microwell) procedures, not recommended for membrane applications.
Reconstitution
Dissolve 1 tablet in 100 ml of 0.05 M phosphate-citrate buffer, pH 5.0 (Tablets available as Sigma Product No. P4809). Add 25 μl of fresh 30% hydrogen peroxide

Sigma Aldrich - 11565

Application
2,2′-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is green in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 1% sodium dodecyl sulfate (SDS). Recommended for ELISA (microwell) procedures, not recommended for membrane applications.