3-Methyl-2-[5-(3-methyl-6-nitro-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-nitro-1,3-benzothiazol-3-ium iodide

Name: 3-Methyl-2-[5-(3-methyl-6-nitro-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-nitro-1,3-benzothiazol-3-ium iodide
Brand: CoreyChem
SKU: CAS:14620-25-8
Price: Contact for pricing USD
Availability: InStock

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

Also Known As: 3-Methyl-2-[5-(3-methyl-6-nitro-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-nitro-1,3-benzothiazol-3-ium iodide

CAS: 14620-25-8

Molecular Formula	`C21H17IN4O4S2`
Molecular Weight	579.9736 g/mol
LogP	2.2
Topological Polar Surface Area	93.4 Å²
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	579.9736
Heavy Atoms	32
Complexity	1316

Chemical Identifiers

CAS Number	14620-25-8
SMILES	`CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=CC=CC=CC3=[N+](C4=C(S3)C=C(C=C4)[N+](=O)[O-])C.[I-]`

Product Overview

3-Methyl-2-[5-(3-methyl-6-nitro-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-nitro-1,3-benzothiazol-3-ium iodide (CAS 14620-25-8), with molecular formula C21H17IN4O4S2 and molecular weight 579.9736 g/mol. IUPAC: 3-methyl-2-[5-(3-methyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-6-nitro-1,3-benzothiazole iodide.

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