CAS 3071-70-3 3,3'-Diethylthiatricarbocyanine Iodide, ≥98%

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3,3'-Diethylthiatricarbocyanine Iodide, ≥98%

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Catalog Number

ACM3071703-2

Product Name

3,3'-Diethylthiatricarbocyanine Iodide, ≥98%

Structure

CAS

3071-70-3

Category

Other Materials

IUPAC Name

(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;iodide

Molecular Weight

544.5g/mol

Molecular Formula

C25H25IN2S2

Canonical SMILES

CCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]

InChI

InChI=1S/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1

InChI Key

OYVFJKVYVDYPFV-UHFFFAOYSA-M

Complexity

601

Covalently-Bonded Unit Count

EC Number

221-342-9

Exact Mass

544.05039g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

544.05039g/mol

Rotatable Bond Count

MSDS

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COA

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Spec Sheet

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