structure of Methyl benzothiophene-3-carboxylate

Methyl benzothiophene-3-carboxylate

CAS No.: 22913-25-3
M. Wt: 192.23400
M. Fa: C10H8O2S
InChI Key: FSJAXBXCHWMNAB-UHFFFAOYSA-N
Appearance: Pale-yellow Liquid

Names and Identifiers of Methyl benzothiophene-3-carboxylate

CAS Number

22913-25-3

MDL Number

MFCD06203855

IUPAC Name

methyl 1-benzothiophene-3-carboxylate

InChI

InChI=1S/C10H8O2S/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-6H,1H3

InChIKey

FSJAXBXCHWMNAB-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=CSC2=CC=CC=C21

UNSPSC Code

12352100

Physical and chemical properties of Methyl benzothiophene-3-carboxylate

Exact Mass

192.02500

H Bond Acceptors

1

H Bond Donors

0

LogP

2.68790

Molecular Formula

C10H8O2S

Molecular Weight

192.23400

PSA

54.54000

Safety Information of Methyl benzothiophene-3-carboxylate

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of Methyl benzothiophene-3-carboxylate

Methyl benzothiophene-3-carboxylate has a wide range of applications across various fields:

  • Chemistry: It serves as a building block in synthesizing more complex organic molecules and heterocyclic compounds.
  • Biology: Investigated for its potential antimicrobial and anticancer properties.
  • Medicine: Explored as a precursor for developing pharmaceutical agents targeting various diseases.
  • Industry: Utilized in producing dyes, pigments, and other specialty chemicals.

Interaction Studies of Methyl benzothiophene-3-carboxylate

The interactions of methyl benzothiophene-3-carboxylate with biological systems are an area of active research. Its mechanism of action may involve binding to specific enzymes or receptors, influencing cellular pathways. Such interactions could lead to therapeutic applications in treating infections or cancer.

Biological Activity of Methyl benzothiophene-3-carboxylate

Research indicates that methyl benzothiophene-3-carboxylate exhibits potential biological activities, particularly in the fields of antimicrobial and anticancer research. Studies have shown that compounds with similar structures may interact with biological targets like enzymes and receptors, suggesting that methyl benzothiophene-3-carboxylate could modulate various biological pathways.

Retrosynthesis analysis of Methyl benzothiophene-3-carboxylate

  • Route#1

    Cas:5381-25-9
    Cas:67-56-1
    Cas:22913-25-3

  • Route#2

    Cas:5381-25-9
    Cas:22913-25-3

  • Route#3

    Cas:87807-50-9
    Cas:22913-25-3