Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid structure

Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid

dimethyl-(4-methylphenyl)sulfanium;2,4,6-trinitrobenzenesulfonic acid

Also Known As: Sulfonium, dimethyl-p-tolyl-, 2,4,6-trinitrobenzenesulfonte|dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid|dimethyl-(4-methylphenyl)sulfanium; 2,4,6-trinitrobenzenesulfonic acid|2,4,6-Tris(hydroxy(oxido)amino)benzenesulfonic acid compound with 1-(dimethyl-lambda~4~-sulfanyl)-4-methylbenzene (1:1)

CAS: 2870-25-9
Molecular Formula C15H16N3O9S2+
Molecular Weight 446.0328 g/mol
LogP 2.88972
Topological Polar Surface Area 201.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 2
Exact Mass 446.0328
Monoisotopic Mass 446.0328
Heavy Atoms 29
Complexity 561.0

Chemical Identifiers

CAS Number 2870-25-9
SMILES CC1=CC=C(C=C1)[S+](C)C.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]
InChIKey AVSCCTYPDCTQFC-UHFFFAOYSA-N

Product Overview

Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid (CAS 2870-25-9), with molecular formula C15H16N3O9S2+ and molecular weight 446.0328 g/mol. IUPAC: dimethyl-(4-methylphenyl)sulfanium;2,4,6-trinitrobenzenesulfonic acid.

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