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Substance Name: Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)
RN: 55514-14-2
InChIKey: SGABZOJLSUJGFH-UHFFFAOYSA-M

Molecular Formula

  • C9-H10-N-S2.C7-H7-O3-S

Molecular Weight

  • 367.512
 
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Names and Synonyms

Synonyms

  • 3-Methyl-2-(methylthio)-benzothiazolium p-toluenesulfonate
  • 3-Methyl-2-methylthiobenzothiozolium p-toluenesulfonate
  • Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)
  • Benzothiazolium, 3-methyl-2-methylthio-, p-toluenesulfonate
  • EINECS 259-687-2
  • NSC 84235

Systematic Names

  • 3-Methyl-2-(methylthio)benzothiazolium p-toluenesulphonate
  • Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)
  • Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonicacid (1:1) (9CI)
  • Benzothiazolium, 3-methyl-2-methylthio-, p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 55514-14-2

System Generated Number

  • 0055514142

Molecular Formulas

Molecular Formula

  • C9-H10-N-S2.C7-H7-O3-S

Molecular Formula Fragments

  • C7-H7-O3-S
  • C9-H10-N-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C9H10NS2.C7H8O3S/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

SGABZOJLSUJGFH-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02000,