Compound C21H21IN2S2

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

CAS: 57441-59-5

Molecular Formula	`C21H21IN2S2`
Molecular Weight	492.4 g/mol
Topological Polar Surface Area	60.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	492.0191
Heavy Atoms	26
Complexity	474.0

Chemical Identifiers

CAS Number	57441-59-5
SMILES	`CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]`
InChIKey	`VZBILKJHDPEENF-UHFFFAOYSA-M`

📖 Product Overview

Compound C21H21IN2S2 (CAS: 57441-59-5) is a chemical compound with molecular formula C21H21IN2S2 and molecular weight 492.4 g/mol. Its IUPAC systematic name is 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide. Topological Polar Surface Area 60.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 492.0191 Heavy Atoms 26 Complexity 474.0 InChI Key: VZBILKJHDPEENF-UHFFFAOYSA-M. SMILES: CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-].

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