Skip to the beginning of the images gallery

5-(4-Isopropylphenyl)thiophene-2-carboxylic acid - 96%, high purity , CAS No.943115-91-1

COA

Grade & Purity:

≥96%

Cas Number: 943115-91-1
Molecular Weight: 246.3
PubChem CID: 20111577

In stock

Item Number

I188502

Grouped product items
SKU	Size	Availability	Price	Qty
I188502-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$133.90
I188502-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$361.90

Basic Description

Synonyms	5-(4-ISOPROPYLPHENYL)THIOPHENE-2-CARBOXYLIC ACID \| 943115-91-1 \| 5-(4-propan-2-ylphenyl)thiophene-2-carboxylic acid \| MFCD07375909 \| 5-[4-(Propan-2-yl)phenyl]thiophene-2-carboxylic acid \| 5-(4-Isopropylphenyl)thiophene-2-carboxylicacid \| SCHEMBL9613342 \| DTXSID30602576
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Phenylpropanes Cumenes Thiophene carboxylic acids 2,5-disubstituted thiophenes Heteroaromatic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	5-(4-propan-2-ylphenyl)thiophene-2-carboxylic acid
INCHI	InChI=1S/C14H14O2S/c1-9(2)10-3-5-11(6-4-10)12-7-8-13(17-12)14(15)16/h3-9H,1-2H3,(H,15,16)
InChIKey	NKIODYGXPIOIST-UHFFFAOYSA-N
Smiles	CC(C)C1=CC=C(C=C1)C2=CC=C(S2)C(=O)O
Isomeric SMILES	CC(C)C1=CC=C(C=C1)C2=CC=C(S2)C(=O)O
Molecular Weight	246.3
Reaxy-Rn	60915831
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60915831&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	246.330 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	246.071 Da
Monoisotopic Mass	246.071 Da
Topological Polar Surface Area	65.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	269.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration