3,3'-dibutyl-2,2'-dithiacarbocyanine

Modify Date: 2024-04-05 10:28:36

3,3'-dibutyl-2,2'-dithiacarbocyanine Structure
3,3'-dibutyl-2,2'-dithiacarbocyanine structure
 Common Name 3,3'-dibutyl-2,2'-dithiacarbocyanine
CAS Number 53213-95-9 Molecular Weight 574.58300
Density N/A Boiling Point N/A
Molecular Formula C27H31IN2S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (2Z)-3-butyl-2-[(2E,4E)-5-(3-butyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole,iodide
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C27H31IN2S2
Molecular Weight 574.58300
Exact Mass 574.09700
PSA 65.29000
LogP 4.14040
InChIKey FZQDCNSJSUBFFD-UHFFFAOYSA-M
SMILES CCCCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CCCC)Sc2ccccc21.[I-]

 Synonyms

Benzothiazolium,3-butyl-2-(5-(3-butyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-,iodide
Dis C4-(5)
3,3'-Dibutyl-2,2'-dithiacarbocyanine
Dis-C4(5) iodide
(2Z)-3-butyl-2-[(2E,4E)-5-(3-butyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide
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