3-Methyl-5-nitrobenzo[b]thiophene-2-carboxylic acid

CAS Registry Number®

17514-61-3

CAS Name

3-Methyl-5-nitrobenzo[b]thiophene-2-carboxylic acid

Molecular Formula

C10H7NO4S

Molecular Mass

237.23

Cite this Page

3-Methyl-5-nitrobenzo[b]thiophene-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17514-61-3 (retrieved 2024-10-04) (CAS RN: 17514-61-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    312-315 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H7NO4S/c1-5-7-4-6(11(14)15)2-3-8(7)16-9(5)10(12)13/h2-4H,1H3,(H,12,13)

InChIKey

InChIKey=MPHOQACYYKZYIG-UHFFFAOYSA-N

SMILES

CC=1C=2C(SC1C(O)=O)=CC=C(N(=O)=O)C2

Canonical SMILES

O=C(O)C=1SC=2C=CC(=CC2C1C)N(=O)=O

Other Names for this Substance

  • Benzo[b]thiophene-2-carboxylic acid, 3-methyl-5-nitro-
  • 3-Methyl-5-nitrobenzo[b]thiophene-2-carboxylic acid
  • NSC 108936
  • 3-Methyl-5-nitro-1-benzothiophene-2-carboxylic acid

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