3-Butyl-2-[3-(3-butyl-(3H)-benzothiazol-2-ylidene)propen-1-YL]benzothiazolium iodide

Base Information

Chemical Name:3-Butyl-2-[3-(3-butyl-(3H)-benzothiazol-2-ylidene)propen-1-YL]benzothiazolium iodide
CAS No.:53213-85-7
Molecular Formula:C25H29 N2 S2 . I
Molecular Weight:548.555
Hs Code.:
European Community (EC) Number:258-430-1
ChEMBL ID:CHEMBL3559033
Mol file:53213-85-7.mol

Synonyms:3-butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;3-BUTYL-2-[3-(3-BUTYL-(3H)-BENZOTHIAZOL-2-YLIDENE)PROPEN-1-YL]BENZOTHIAZOLIUM IODIDE;SCHEMBL71566;CHEMBL3559033

Suppliers and Price of 3-Butyl-2-[3-(3-butyl-(3H)-benzothiazol-2-ylidene)propen-1-YL]benzothiazolium iodide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3,3''-DibutylthiacarbocyanineIodide
250mg
$ 1155.00

American Custom Chemicals Corporation
3,3'-DIBUTYLTHIACARBOCYANINE IODIDE 95.00%
5MG
$ 500.24

Total 6 raw suppliers

Chemical Property of 3-Butyl-2-[3-(3-butyl-(3H)-benzothiazol-2-ylidene)propen-1-YL]benzothiazolium iodide

Chemical Property:

PSA：65.29000
LogP:3.58420
Solubility.:DMSO: soluble
XLogP3:8.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:421.17721628
Heavy Atom Count:29
Complexity:527

Purity/Quality:

99% ^*data from raw suppliers

3,3''-DibutylthiacarbocyanineIodide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 22-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCC
Isomeric SMILES:CCCCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCCC
Uses 3,3''-Dibutylthiacarbocyanine iodide is a cyanine useful in fluorescent applications.

Technology Process of 3-Butyl-2-[3-(3-butyl-(3H)-benzothiazol-2-ylidene)propen-1-YL]benzothiazolium iodide

There total 1 articles about 3-Butyl-2-[3-(3-butyl-(3H)-benzothiazol-2-ylidene)propen-1-YL]benzothiazolium iodide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 53213-85-7
3,3'-dibutylthiacarbocyanine iodide

Guidance literature:: /BRN= 6108517/;

Reference yield: 1.0%

: 53213-85-7
3-Butyl-2-{(E)-3-[3-butyl-3H-benzothiazol-(2E)-ylidene]-propenyl}-benzothiazol-3-ium; iodide

: 95-16-9
1,3-Benzothiazole

: 120-75-2
2-Methylbenzothiazole

: 20614-71-5
2-pentylbenzo[d]thiazole

: 2-methyl-3-butylbenzothiazoline

: 2-methylene-3-butylbenzothiazoline

: o-butylmercapto-N-butylaniline

Guidance literature:: at 300 ℃; under 735.5 Torr; Product distribution; relative percentage of isolated volatile products of thermolysis;
DOI:10.1007/BF00506990