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Substance Name: Thiothiamine
RN: 299-35-4
UNII: J8QL0N8LM4
InChIKey: SQOCQQPFEFRKBV-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-N4-O-S2

Molecular Weight

  • 296.417
 
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Names and Synonyms

Name of Substance

  • Thiothiamine

Synonyms

  • EC 206-077-9
  • EINECS 206-077-9
  • UNII-J8QL0N8LM4

Systematic Name

  • 3-(4-Amino-2-methylpyrimidin-5-ylmethyl)-5-(2-hydroxyethyl)-4-methylthiazole-2(3H)-thione

Registry Numbers

CAS Registry Number

  • 299-35-4

FDA UNII

  • J8QL0N8LM4

System Generated Number

  • 0000299354

Structure Descriptors

InChI

1S/C12H16N4OS2/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)

InChIKey

SQOCQQPFEFRKBV-UHFFFAOYSA-N

Smiles

n1(c(sc(c1C)CCO)=S)Cc1c(nc(nc1)C)N