Fexinidazole

CAS Registry Number®

59729-37-2
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CAS Name

Fexinidazole

Molecular Formula

C12H13N3O3S

Molecular Mass

279.31

Cite this Page

Fexinidazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=59729-37-2 (retrieved 2024-04-20) (CAS RN: 59729-37-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    501 °C

  • Melting Point (2)

    51-55 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3

InChIKey

InChIKey=MIWWSGDADVMLTG-UHFFFAOYSA-N

SMILES

C(OC1=CC=C(SC)C=C1)C=2N(C)C(N(=O)=O)=CN2

Canonical SMILES

O=N(=O)C1=CN=C(N1C)COC2=CC=C(SC)C=C2

Other Names for this Substance

  • 1H-Imidazole, 1-methyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitro-
  • 1-Methyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitro-1H-imidazole
  • Fexinidazole
  • HOE 239
  • 1-Methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole

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