Isoquinolinium, 1-(2,2-bis(methylthio)ethenyl)-2-methyl-, iodide

1-[2,2-bis(methylsulfanyl)ethenyl]-2-methylisoquinolin-2-ium iodide

CAS: 104664-38-2

Molecular Formula	`C14H16INS2`
Molecular Weight	389.3 g/mol
Topological Polar Surface Area	54.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	388.9769
Heavy Atoms	18
Complexity	271.0

Chemical Identifiers

CAS Number	104664-38-2
SMILES	`C[N+]1=C(C2=CC=CC=C2C=C1)C=C(SC)SC.[I-]`
InChIKey	`HJPONRYBZRNYCV-UHFFFAOYSA-M`

📖 Product Overview

Isoquinolinium, 1-(2,2-bis(methylthio)ethenyl)-2-methyl-, iodide (CAS: 104664-38-2) is a chemical compound with molecular formula C14H16INS2 and molecular weight 389.3 g/mol. Its IUPAC systematic name is 1-[2,2-bis(methylsulfanyl)ethenyl]-2-methylisoquinolin-2-ium iodide. Topological Polar Surface Area 54.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 388.9769 Heavy Atoms 18 Complexity 271.0 InChI Key: HJPONRYBZRNYCV-UHFFFAOYSA-M. SMILES: C[N+]1=C(C2=CC=CC=C2C=C1)C=C(SC)SC.[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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