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Substance Name: Thiiodine
RN: 53571-49-6
InChIKey: KEULWCZGHKCJKP-UHFFFAOYSA-L

Note

  • Combination of thiamine & sodium iodide.

Molecular Formula

  • C12-H17-N4-O-S.Cl.I.Na

Molecular Weight

  • 450.702
 
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Names and Synonyms

Name of Substance

  • Thiiodine

Synonyms

  • Thiazolium, 3 ((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride, mixt. with sodium iodide
  • Tiiodine

Systematic Name

  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride, mixt. with sodium iodide (NaI)

Registry Numbers

CAS Registry Number

  • 53571-49-6

System Generated Number

  • 0053571496

Molecular Formulas

Molecular Formula

  • C12-H17-N4-O-S.Cl.I.Na

Molecular Formula Fragments

  • C12-H17-N4-O-S
  • Cl
  • COMPONENT
  • I
  • Na

Structure Descriptors

InChI

1S/C12H17N4OS.ClH.HI.Na/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H;/q+1;;;+1/p-2

InChIKey

KEULWCZGHKCJKP-UHFFFAOYSA-L

Smiles

[Na+].[IH-].s1c[n+](c(c1CCO)C)Cc1c(nc(nc1)C)N.[ClH-]