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22268-65-1

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Basic Information
CAS No.: 22268-65-1
Name: 3,3'-DIETHYL-2,2'-THIADICARBOCYANINE PERCHLORATE
Molecular Structure:
Molecular Structure of 22268-65-1 (3,3'-DIETHYL-2,2'-THIADICARBOCYANINE PERCHLORATE)
Formula: C23 H23 N2 S2 . Cl O4
Molecular Weight: 491.02
Synonyms: 3-Ethyl-2-[5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl]benzothiazolium perchlorate;
PSA: 139.56000
LogP: 5.79030
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  • 3,3'-DIETHYL-2,2'-THIADICARBOCYANINE PERCHLORATE

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    22268-65-1

    3,3'-DIETHYL-2,2'-THIADICARBOCYANINE PERCHLORATE

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The 3,3’-Diethyl-2,2’-thiadicarbocyanine perchlorate, with the CAS registry number of 22268-65-1, is also known as 3-Ethyl-2-[5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl]benzothiazolium perchlorate. This chemical's molecular formula is C23H23ClN2O4S2 and molecular weight is 491.02. What's more, its systematic name is 3-Ethyl-2-[(1E,3E,5E)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)penta-1,3-dienyl]-1,3-benzothiazol-3-ium perchlorate.

Physical properties about the 3,3’-Diethyl-2,2’-thiadicarbocyanine perchlorate are: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 134.93 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: CC[n+]1c2ccccc2sc1C=CC=CC=C3N(c4ccccc4S3)CC.[O-]Cl(=O)(=O)=O
(2) InChI: InChI=1/C23H23N2S2.ClHO4/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;2-1(3,4)5/h5-17H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
(3) InChIKey: HSVLFBSXAKAPBG-REWHXWOFAN