structure of 1-(Thiophen-2-yl)cyclohexanecarboxylic acid

1-(Thiophen-2-yl)cyclohexanecarboxylic acid

CAS No.: 100058-72-8
M. Wt: 210.29300
M. Fa: C11H14O2S
InChI Key: TVJXMYFENIHEOZ-UHFFFAOYSA-N

Names and Identifiers of 100058-72-8

CAS Number

100058-72-8

MDL Number

MFCD03426862

IUPAC Name

1-thiophen-2-ylcyclohexane-1-carboxylic acid

InChI

InChI=1S/C11H14O2S/c12-10(13)11(6-2-1-3-7-11)9-5-4-8-14-9/h4-5,8H,1-3,6-7H2,(H,12,13)

InChIKey

TVJXMYFENIHEOZ-UHFFFAOYSA-N

Canonical SMILES

O=C(O)C1(C2=CC=CS2)CCCCC1

UNSPSC Code

12352100

Physical and chemical properties of 100058-72-8

Exact Mass

210.07100

LogP

3.03460

Molecular Formula

C11H14O2S

Molecular Weight

210.29300

PSA

65.54000

Safety Information of 100058-72-8

Pictograms

Signal Word

 Warning

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

Applications of 100058-72-8

1-(Thiophen-2-yl)cyclohexane-1-carboxylic acid has potential applications in various fields:

  • Pharmaceuticals: As a building block for drug synthesis due to its unique structural properties.
  • Organic Synthesis: Utilized in the development of new materials and compounds through coupling reactions.
  • Agricultural Chemicals: Potential use in agrochemicals for pest control or as growth regulators.

Retrosynthesis analysis of 100058-72-8

  • Route#1

    Cas:111-24-0
    Cas:100058-72-8

  • Route#2

    Cas:99856-75-4
    Cas:100058-72-8