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

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

CAS No:
104664-38-2
Formula:
C14H16INS2
Chemical Name:
1-[2,2-bis(methylsulfanyl)ethenyl]-2-methylisoquinolin-2-ium;iodide
Synonyms:
104664-38-2;Isoquinolinium, 1-(2,2-bis(methylthio)ethenyl)-2-methyl-, iodide;2-Methyl-1-(2,2-bis(methylthio)vinyl)isoquinolinium iodide;ISOQUINOLINIUM, 1-(CARBONYLMETHYL)-2-METHYL-, IODIDE, DIMETHYL MERCAPTAL;CHEMBL347607;DTXSID80909108;Methyl[2-(2-methylisoquinolin-1(2H)-ylidene)-1-(methylsulfanyl)ethylidene]sulfanium iodide

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

Molecular Weight：

389.3 g/mol

Exact Mass：

388.97689 g/mol

Characteristics

PSA：

54.5 Å²

Computed Properties

Molecular Weight:389.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:388.97689
Monoisotopic Mass:388.97689
Topological Polar Surface Area:54.5
Heavy Atom Count:18
Complexity:271
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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