Benzothiazolium, 3-methyl-, methyl sulfate

3-methyl-1,3-benzothiazol-3-ium;methyl sulfate

CAS: 5284-73-1

Molecular Formula	`C9H11NO4S2`
Molecular Weight	261.3 g/mol
Topological Polar Surface Area	107.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	0
Exact Mass	261.01294
Heavy Atoms	16
Complexity	217.0

Chemical Identifiers

CAS Number	5284-73-1
SMILES	`C[N+]1=CSC2=CC=CC=C21.COS(=O)(=O)[O-]`
InChIKey	`QPTHLIIYYVUGSV-UHFFFAOYSA-M`

📖 Product Overview

Benzothiazolium, 3-methyl-, methyl sulfate (CAS: 5284-73-1) is a chemical compound with molecular formula C9H11NO4S2 and molecular weight 261.3 g/mol. Its IUPAC systematic name is 3-methyl-1,3-benzothiazol-3-ium;methyl sulfate. Topological Polar Surface Area 107.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 0 Exact Mass 261.01294 Heavy Atoms 16 Complexity 217.0 InChI Key: QPTHLIIYYVUGSV-UHFFFAOYSA-M. SMILES: C[N+]1=CSC2=CC=CC=C21.COS(=O)(=O)[O-].

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