Cetrimonium saccharinate

1,1-dioxo-1,2-benzothiazol-3-olate;hexadecyl(trimethyl)azanium

CAS: 2478-29-7

Molecular Formula	`C26H46N2O3S`
Molecular Weight	466.7 g/mol
Topological Polar Surface Area	77.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	15
Exact Mass	466.3229
Heavy Atoms	32
Complexity	495.0

Chemical Identifiers

CAS Number	2478-29-7
SMILES	`CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]`
InChIKey	`GDORIPGFFDIMOW-UHFFFAOYSA-M`

📖 Product Overview

Cetrimonium saccharinate (CAS: 2478-29-7) is a chemical compound with molecular formula C26H46N2O3S and molecular weight 466.7 g/mol. Its IUPAC systematic name is 1,1-dioxo-1,2-benzothiazol-3-olate;hexadecyl(trimethyl)azanium. Topological Polar Surface Area 77.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 15 Exact Mass 466.3229 Heavy Atoms 32 Complexity 495.0 InChI Key: GDORIPGFFDIMOW-UHFFFAOYSA-M. SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[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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