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Substance Name: Benzothiazolium, 3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)
RN: 63870-43-9
InChIKey: VRUKJBQALZCTDX-GMFCBQQYSA-M

Molecular Formula

  • C14-H18-N-S2.I

Molecular Weight

  • 391.335
 
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Names and Synonyms

Synonym

  • EINECS 264-533-2

Systematic Names

  • 3-Ethyl-2-(2-(methylthio)but-1-enyl)benzothiazolium iodide
  • Benzothiazolium, 3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-(2-(methylthio)-1-butenyl)-, iodide

Registry Numbers

CAS Registry Number

  • 63870-43-9

Other Registry Number

  • 856793-32-3

System Generated Number

  • 0063870439

Molecular Formulas

Molecular Formula

  • C14-H18-N-S2.I

Molecular Formula Fragments

  • C14-H18-N-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H18NS2.HI/c1-4-11(16-3)10-14-15(5-2)12-8-6-7-9-13(12)17-14;/h6-10H,4-5H2,1-3H3;1H/q+1;/p-1/b11-10-;

InChIKey

VRUKJBQALZCTDX-GMFCBQQYSA-M

Smiles

s1c([n+](c2c1cccc2)CC)\C=C(\CC)SC.[IH-]