3-[(2-BENZOTHIAZOLYL)THIO]-1-PROPANESULFONIC ACID, SODIUM SALT

SpectraBase Compound ID	1HIi32JarDQ
InChI	InChI=1S/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1
InChIKey	VRKNGZAPJYUNSN-UHFFFAOYSA-M Google Search
Mol Weight	311.36 g/mol
Molecular Formula	C10H10NNaO3S3
Exact Mass	310.972051 g/mol

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SpectraBase Spectrum ID	IgIoxTLmpUS
Name	Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate
Source of Sample	Sigma-Aldrich Co. LLC.
Catalog Number	251690
CAS Registry Number	49625-94-7
Copyright	Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C10H10NNaO3S3
InChI	InChI=1S/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1
InChIKey	VRKNGZAPJYUNSN-UHFFFAOYSA-M
Observed nucleus	13C
Solvent	DMSO-d6
Source of Spectrum	Sigma-Aldrich Co. LLC.
Synonyms	3-(Benzothiazol-2-ylthio)-1-propanesulfonic acid sodium salt, ZPS
Wiley ID	SIAL_13CNMR_004338