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3,3′-Diethylthiadicarbocyanine iodide - 98%, high purity , CAS No.514-73-8

COA

Grade & Purity:

≥98%

Cas Number: 514-73-8
Molecular Weight: 518.48
MDL number: MFCD00074829
PubChem CID: 6433197

In stock

Item Number

D478411

Grouped product items
SKU	Size	Availability	Price
D478411-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
D478411-1g	1g	2	$209.90
D478411-5g	5g	1	$483.90

View related series

Fluorescence dye (54) Parasite (997)

Basic Description

Synonyms	(2Z)-3-ethyl-2-[(2E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide \| Dithiazinine \| F9995-0233 \| HOE 00661 \| MLS006011678 \| Abminthic \| Iodure de dithiazanine [INN-French] \| SCHEMBL22877 \| UNII-8OEC3RA07X \| NSC 221
Specifications & Purity	≥98%
Storage Temp	Protected from light
Shipped In	Normal
Product Description	Description DTDCi is used as;Fluorescent contrast agent in three-dimensional fluorescence lifetime tomography.Dye for rapid genetic screening.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Aryl thioethers Benzenoids Thiazoles Heteroaromatic compounds Ketene acetals Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Ketene acetal or derivatives - Azacycle - Organic iodide salt - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors	organic iodide salt - benzothiazoles
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole;iodide
INCHI	InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey	MNQDKWZEUULFPX-UHFFFAOYSA-M
Smiles	CCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]
Isomeric SMILES	CCN\1C2=CC=CC=C2S/C1=C/C=C/C=C/C3=[N+](C4=CC=CC=C4S3)CC.[I-]
PubChem CID	6433197
UN Number	2811
Packing Group	I
Molecular Weight	518.48

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
H2414109	Certificate of Analysis	Apr 22, 2024	D478411
H2414110	Certificate of Analysis	Apr 22, 2024	D478411
H2414112	Certificate of Analysis	Apr 22, 2024	D478411
H2414113	Certificate of Analysis	Apr 22, 2024	D478411
H2414108	Certificate of Analysis	Apr 22, 2024	D478411
H2414111	Certificate of Analysis	Apr 22, 2024	D478411

Chemical and Physical Properties

Solubility	Soluble in methanol
Sensitivity	light sensitive
Melt Point(°C)	249 °C (dec.) (lit.)
Molecular Weight	518.500 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	518.035 Da
Monoisotopic Mass	518.035 Da
Topological Polar Surface Area	60.700 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	537.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	3
Covalently-Bonded Unit Count	2

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