2-(Methylthio)-5-nitrobenzoic acid

CAS Registry Number®

70290-38-9

CAS Name

2-(Methylthio)-5-nitrobenzoic acid

Molecular Formula

C8H7NO4S

Molecular Mass

213.21

Cite this Page

2-(Methylthio)-5-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70290-38-9 (retrieved 2024-10-08) (CAS RN: 70290-38-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H7NO4S/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

InChIKey=CYOCVNINXORWNY-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(SC)C=CC(N(=O)=O)=C1

Canonical SMILES

O=C(O)C1=CC(=CC=C1SC)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-(methylthio)-5-nitro-
  • 2-(Methylthio)-5-nitrobenzoic acid
  • 2-(Methylsulfanyl)-5-nitrobenzoic acid

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