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Substance Name: Isothiazolium, 3-formyl-2-methyl-, oxime, p-toluenesulfonate
RN: 28392-93-0
InChIKey: RIPWTPUBWMQSBO-UHFFFAOYSA-N

Molecular Formula

  • C5-H7-N2-O-S.C7-H7-O3-S

Molecular Weight

  • 314.385
 
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Names and Synonyms

Synonym

  • 3-Formyl-2-methylisothiazolium oxime tosylate

Systematic Name

  • Isothiazolium, 3-formyl-2-methyl-, oxime, p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 28392-93-0

System Generated Number

  • 0028392930

Molecular Formulas

Molecular Formula

  • C5-H7-N2-O-S.C7-H7-O3-S

Molecular Formula Fragments

  • C5-H7-N2-O-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8O3S.C5H6N2OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-7-5(4-6-8)2-3-9-7/h2-5H,1H3,(H,8,9,10);2-4H,1H3

InChIKey

RIPWTPUBWMQSBO-UHFFFAOYSA-N

Smiles

c1(S(=O)(=O)[O-])ccc(C)cc1.c1([n+](scc1)C)\C=N\O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 377mg/kg (377mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1208, 1970.