1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)

CAS Registry Number®

30575-42-9

CAS Name

1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)

Molecular Formula

C13H15N3O5S

Molecular Mass

325.34

Cite this Page

1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30575-42-9 (retrieved 2025-06-26) (CAS RN: 30575-42-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-157 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H15N3O5S/c1-10-3-5-12(6-4-10)22(19,20)21-8-7-15-11(2)14-9-13(15)16(17)18/h3-6,9H,7-8H2,1-2H3

InChIKey

InChIKey=WDOBEGMTPLDNHO-UHFFFAOYSA-N

SMILES

C(COS(=O)(=O)C1=CC=C(C)C=C1)N2C(N(=O)=O)=CN=C2C

Canonical SMILES

O=N(=O)C1=CN=C(N1CCOS(=O)(=O)C2=CC=C(C=C2)C)C

Other Names for this Substance

  • 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)
  • Imidazole-1-ethanol, 2-methyl-5-nitro-, p-toluenesulfonate (ester)
  • 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 4-methylbenzenesulfonate (ester)
  • Metronidazole tosylate

Deleted or Replaced CAS Registry Numbers

2171497-32-6

CAS INSIGHTSTM
Purple and red filaments produced by electrostatic discharge inside a plasma ball.