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3-methyl-2-[3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]benzothiazolium iodide is a complex organic compound with the molecular formula C20H15N2S3I. It is a benzothiazolium salt, characterized by the presence of two benzothiazole rings, one of which is substituted with a methyl group. The compound features a prop-1-enyl group that connects the two benzothiazole rings, with one of the prop-1-enyl carbons being part of a 3-methyl-3H-benzothiazol-2-ylidene moiety. 3-methyl-2-[3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]benzothiazolium iodide is typically used as a photosensitizer in photodynamic therapy, where it can generate reactive oxygen species upon light activation, leading to the destruction of target cells. Its chemical structure and properties make it a promising candidate for applications in medicine and materials science.

1742-91-2

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1742-91-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1742-91-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,7,4 and 2 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1742-91:
(6*1)+(5*7)+(4*4)+(3*2)+(2*9)+(1*1)=82
82 % 10 = 2
So 1742-91-2 is a valid CAS Registry Number.
InChI:InChI=1/C19H17N2S2.HI/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;/h3-13H,1-2H3;1H/q+1;/p-1

1742-91-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methyl-2-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole,iodide

1.2 Other means of identification

Product number -
Other names 3,3'-dimethylthiacarbocyanine iodide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1742-91-2 SDS

1742-91-2Relevant academic research and scientific papers

A comparative study of symmetrical and unsymmetrical trimethine cyanine dyes bearing benzoxazolyl and benzothiazolyl groups

Shi, Quan-Quan,Sun, Ru,Ge, Jian-Feng,Xu, Qing-Feng,Li, Na-Jun,Lu, Jian-Mei

experimental part, p. 1506 - 1511 (2012/03/11)

Six symmetrical and unsymmetrical trimethine cyanine dyes bearing benzothiazolyl and benzoxazolyl groups were synthesized. Their linear optical properties were studied. It was found that the variation of hetero atoms play an important role in the spectral properties of the dyes. Sequential replacement of the oxygen atom by the sulfur atom resulted in a change in shade from yellow to purple. In order to understand the relationship between the molecular structures and the spectral properties of these dyes, theoretical calculations were made using the Gaussian programme. Key parameters related to absorption and emission spectra were reported and discussed.

Supramolecular control of photophysical properties of cyanine dyes

Rao, Tata Venkata S.,Huff, Jeffrey B.,Bieniarz, Christopher

, p. 10627 - 10634 (2007/10/03)

We present the results of our studies on the intramolecular complexation of cyanine dyes and cyclodextrins with the objective of modifying the photophysical behaviour of the dyes. We demonstrate that dye inclusion complex formation with cyclodextrins serves to inhibit dimer formation as well as enhance photostability of cyanines. We also show that the modification of the physicochemical properties of cyanine dyes by cyclodextrin complexation is a highly selective, structure dependent phenomenon.

Carbenoid reactions of trifluoromethylelement compounds. Part 4. Reactions of trifluoromethylzinc bromide with enamines and methylene bases

Tyrra, Wieland,Naumann, Dieter,Pasenok, Sergej V.,Yagupolskii, Yurii L.

, p. 181 - 186 (2007/10/02)

The reactions of ZnBr(CF3)*2CH3CN with 1-morpholinocyclo-pentene and -hexene have been investigated and found to yield mixtures of two isomers of 1-morpholino-1-cyanomethyl-2-difluoromethyl-cyclopentane and -hexane, respectively.The interaction with methylene bases of nitrogen heterocycles leads to the formation of trimethinecyanine dyes.This reaction sequence includes the formation of two carbon-carbon bonds in a one-pot operation.The mechanism of the reaction is discussed. - Keywords: Carbenoid reactions; Trifluoromethylelement compounds; Trifluoromethylzinc bromide; Enamines; Methylene bases; NMR spectroscopy; Mass spectrometry; UV-vis spectroscopy

Bridged Cyanine Dyes. Part 2 . 1-(N-Methyl-2-benzothiazolylinio)-3-(N-methyl-2-benzothiazolylene) and 1-(N-Methyl-4-pyridinio)-3-(N-methyl-4-pyridylene)cyclopenta-1,4-dienes with Fused Rings

Katritzky, Alan R.,Liang, De-Sheng,Fan, Wei-Qiang

, p. 1315 - 1319 (2007/10/02)

1,3-Bis(N-methyl-4-pyridyl)- and 1,3-bis(N-methyl-2-benzothiazolyl)-propane diiodides react with 1,2-cyclohexanedione, tetrachloro-1,2- and 1,4-benzoquinone, 2,3-dichloronaphthoquinone, 3,4-dichloromaleimide and 2,3-dichloroquinoxaline to give novel fused ring bridged cyanine dyes

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