Methyl thihexinolium

[4-[hydroxy(dithiophen-2-yl)methyl]cyclohexyl]-trimethylazanium

CAS: 114740-90-8

Molecular Formula	`C18H26NOS2+`
Molecular Weight	336.5 g/mol
LogP	3.6
Topological Polar Surface Area	76.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	336.14557
Heavy Atoms	22
Complexity	358.0

Chemical Identifiers

CAS Number	114740-90-8
SMILES	`C[N+](C)(C)C1CCC(CC1)C(C2=CC=CS2)(C3=CC=CS3)O`
InChIKey	`VROKFRFJNZCFMH-UHFFFAOYSA-N`

📖 Product Overview

Methyl thihexinolium (CAS: 114740-90-8) is a chemical compound with molecular formula C18H26NOS2+ and molecular weight 336.5 g/mol. Its IUPAC systematic name is [4-[hydroxy(dithiophen-2-yl)methyl]cyclohexyl]-trimethylazanium. LogP 3.6 Topological Polar Surface Area 76.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 336.14557 Heavy Atoms 22 Complexity 358.0 InChI Key: VROKFRFJNZCFMH-UHFFFAOYSA-N. SMILES: C[N+](C)(C)C1CCC(CC1)C(C2=CC=CS2)(C3=CC=CS3)O.

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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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