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Substance Name: 2-Bis(2-methylthio)vinyl-1-methylquinolinium
RN: 21804-67-1
InChIKey: OZFKCVDDBABKIM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N-S2.I

Molecular Weight

  • 389.319
 
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Names and Synonyms

Name of Substance

  • 2-Bis(2-methylthio)vinyl-1-methylquinolinium

Synonym

  • 2-(Carbonylmethyl)-1-methylquinolinium iodide dimethyl mercaptal

Systematic Names

  • Quinolinium, 2-(2,2-bis(methylthio)ethenyl)-1-methyl, iodide
  • Quinolinium, 2-(carbonylmethyl)-1-methyl-, iodide, dimethyl mercaptal

Registry Numbers

CAS Registry Number

  • 21804-67-1

System Generated Number

  • 0021804671

Molecular Formulas

Molecular Formula

  • C14-H16-N-S2.I

Molecular Formula Fragments

  • C14-H16-N-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H16NS2.HI/c1-15-12(10-14(16-2)17-3)9-8-11-6-4-5-7-13(11)15;/h4-10H,1-3H3;1H/q+1;/p-1

InChIKey

OZFKCVDDBABKIM-UHFFFAOYSA-M

Smiles

[n+]1(c(ccc2ccccc12)\C=C(\SC)SC)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 57, 1987.
mouse LD50 oral > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 57, 1987.