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Substance Name: Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)
RN: 6112-39-6
InChIKey: VSLLSCGWLKZXJL-UHFFFAOYSA-M

Molecular Formula

  • C8-H8-N-S.C7-H7-O3-S

Molecular Weight

  • 321.419
 
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Names and Synonyms

Synonyms

  • 3-Methylbenzenethiazolium 4-methylbenzenesulfonate
  • 3-Methylbenzothiazolium-p-toluene sulfonate
  • Benzothiazolium, 3-methyl-, p-toluenesulfonate
  • Benzothiazolium, 3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
  • EINECS 228-075-7

Systematic Names

  • 3-Methylbenzothiazolium toluene-4-sulphonate
  • Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 3-methyl-, p-toluenesulfonate
  • Benzothiazolium, 3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 6112-39-6

System Generated Number

  • 0006112396

Molecular Formulas

Molecular Formula

  • C8-H8-N-S.C7-H7-O3-S

Molecular Formula Fragments

  • C7-H7-O3-S
  • C8-H8-N-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

VSLLSCGWLKZXJL-UHFFFAOYSA-M

Smiles

c12c(sc[n+]1C)cccc2.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 1gm/kg (1000mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rat LDLo intraperitoneal 800mg/kg (800mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rat LDLo oral 1600mg/kg (1600mg/kg)   Kodak Company Reports. Vol. 21MAY1971,