Compound C16H17NO3S3

4-methylbenzenesulfonate;3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium

CAS: 55514-14-2

Molecular Formula	`C16H17NO3S3`
Molecular Weight	367.5 g/mol
Topological Polar Surface Area	123.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	367.03705
Heavy Atoms	23
Complexity	356.0

Chemical Identifiers

CAS Number	55514-14-2
SMILES	`CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)SC`
InChIKey	`SGABZOJLSUJGFH-UHFFFAOYSA-M`

📖 Product Overview

Compound C16H17NO3S3 (CAS: 55514-14-2) is a chemical compound with molecular formula C16H17NO3S3 and molecular weight 367.5 g/mol. Its IUPAC systematic name is 4-methylbenzenesulfonate;3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium. Topological Polar Surface Area 123.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 367.03705 Heavy Atoms 23 Complexity 356.0 InChI Key: SGABZOJLSUJGFH-UHFFFAOYSA-M. SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)SC.

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