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Substance Name: Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)
RN: 65776-64-9
InChIKey: XBGABTWBPWSCNG-UHFFFAOYSA-M

Molecular Formula

  • C12-H16-N-O2-S.I

Molecular Weight

  • 365.229
 
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Names and Synonyms

Synonyms

  • 3-(3-Hydroxypropyl)-5-methoxy-2-methylbenzothiazolium iodide
  • EINECS 265-921-4

Systematic Names

  • 3-(3-Hydroxypropyl)-5-methoxy-2-methylbenzothiazolium iodide
  • Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide
  • Benzothiazolium, 3-(3-hydroxypropyl)-5-methoxy-2-methyl-, iodide (1:1)

Registry Numbers

CAS Registry Number

  • 65776-64-9

System Generated Number

  • 0065776649

Molecular Formulas

Molecular Formula

  • C12-H16-N-O2-S.I

Molecular Formula Fragments

  • C12-H16-N-O2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H16NO2S.HI/c1-9-13(6-3-7-14)11-8-10(15-2)4-5-12(11)16-9;/h4-5,8,14H,3,6-7H2,1-2H3;1H/q+1;/p-1

InChIKey

XBGABTWBPWSCNG-UHFFFAOYSA-M

Smiles

s1c(C)[n+](CCCO)c2c1ccc(OC)c2.[IH-]