4-(Methylthio)-3-nitrobenzoic acid

CAS Registry Number®

64399-24-2
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CAS Name

4-(Methylthio)-3-nitrobenzoic acid

Molecular Formula

C8H7NO4S

Molecular Mass

213.21

Cite this Page

4-(Methylthio)-3-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=64399-24-2 (retrieved 2024-04-30) (CAS RN: 64399-24-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    240 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=BPZVSOOQLVSCDF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-(methylthio)-3-nitro-
  • 4-(Methylthio)-3-nitrobenzoic acid
  • 3-Nitro-4-methylthiobenzoic acid
  • 4-Methylsulfanyl-3-nitrobenzoic acid

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