Compound C21H17Cl2IN2S2

6-chloro-2-[5-(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-methyl-1,3-benzothiazole iodide

CAS: 14795-77-8

Molecular Formula	`C21H17Cl2IN2S2`
Molecular Weight	559.3 g/mol
Topological Polar Surface Area	60.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	557.9255
Heavy Atoms	28
Complexity	573.0

Chemical Identifiers

CAS Number	14795-77-8
SMILES	`CN1C2=C(C=C(C=C2)Cl)SC1=CC=CC=CC3=[N+](C4=C(S3)C=C(C=C4)Cl)C.[I-]`
InChIKey	`CTPYJHSTHMFAOB-UHFFFAOYSA-M`

📖 Product Overview

Compound C21H17Cl2IN2S2 (CAS: 14795-77-8) is a chemical compound with molecular formula C21H17Cl2IN2S2 and molecular weight 559.3 g/mol. Its IUPAC systematic name is 6-chloro-2-[5-(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-methyl-1,3-benzothiazole iodide. Topological Polar Surface Area 60.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 557.9255 Heavy Atoms 28 Complexity 573.0 InChI Key: CTPYJHSTHMFAOB-UHFFFAOYSA-M. SMILES: CN1C2=C(C=C(C=C2)Cl)SC1=CC=CC=CC3=[N+](C4=C(S3)C=C(C=C4)Cl)C.[I-].

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