Compound C15H15NO3S2

4-methylbenzenesulfonate;3-methyl-1,3-benzothiazol-3-ium

CAS: 6112-39-6

Molecular Formula	`C15H15NO3S2`
Molecular Weight	321.4 g/mol
Topological Polar Surface Area	97.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	321.04935
Heavy Atoms	21
Complexity	319.0

Chemical Identifiers

CAS Number	6112-39-6
SMILES	`CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CSC2=CC=CC=C21`
InChIKey	`VSLLSCGWLKZXJL-UHFFFAOYSA-M`

📖 Product Overview

Compound C15H15NO3S2 (CAS: 6112-39-6) is a chemical compound with molecular formula C15H15NO3S2 and molecular weight 321.4 g/mol. Its IUPAC systematic name is 4-methylbenzenesulfonate;3-methyl-1,3-benzothiazol-3-ium. Topological Polar Surface Area 97.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 0 Exact Mass 321.04935 Heavy Atoms 21 Complexity 319.0 InChI Key: VSLLSCGWLKZXJL-UHFFFAOYSA-M. SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CSC2=CC=CC=C21.

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