2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide

CAS: 102571-37-9

Molecular Formula	`C17H28IN3OS`
Molecular Weight	449.4 g/mol
Topological Polar Surface Area	63.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	449.0998
Heavy Atoms	23
Complexity	314.0

Chemical Identifiers

CAS Number	102571-37-9
SMILES	`CCCCCCCCOC[N+](C)(C)C1=CC2=NSN=C2C=C1.[I-]`
InChIKey	`BCMUOJDUDQXYSQ-UHFFFAOYSA-M`

📖 Product Overview

2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide (CAS: 102571-37-9) is a chemical compound with molecular formula C17H28IN3OS and molecular weight 449.4 g/mol. Its IUPAC systematic name is 2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide. Topological Polar Surface Area 63.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 449.0998 Heavy Atoms 23 Complexity 314.0 InChI Key: BCMUOJDUDQXYSQ-UHFFFAOYSA-M. SMILES: CCCCCCCCOC[N+](C)(C)C1=CC2=NSN=C2C=C1.[I-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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