3-Cyano-4-isobutyloxythiobenzamide

Name: 3-Cyano-4-isobutyloxythiobenzamide
Brand: Vaqora Chemicals
SKU: VQ-030684

About 3-Cyano-4-isobutyloxythiobenzamide

3-Cyano-4-isobutyloxythiobenzamide is an impurity of Febuxostat carrying the CAS registry number 163597-57-7. Its molecular formula is C12H14N2OS and its molecular weight is 234.32 g/mol. Systematically, it is named 3-cyano-4-(2-methylpropoxy)benzenecarbothioamide. Alternative names: 3-Cyano-4-isobutoxybenzothioamide and Cyano-4-isobutoxythiobenzamide.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Good laboratory practice and suitable PPE are recommended during handling.

This Febuxostat impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Febuxostat

View every impurity, metabolite and intermediate we list for Febuxostat.

Febuxostat impurities

Specifications & identifiers

Chemical identifiers
Product name	3-Cyano-4-isobutyloxythiobenzamide
Catalogue No.	VQ-030684
CAS Number	163597-57-7
IUPAC name	3-cyano-4-(2-methylpropoxy)benzenecarbothioamide
Molecular formula	C₁₂H₁₄N₂OS
Molecular weight	234.32 g/mol
Exact mass	234.0827
Grade	Reference Standard
HSN code	38229090
InChIKey	FMHRQJJWJQGSDR-UHFFFAOYSA-N
SMILES	CC(C)COC1=C(C=C(C=C1)C(=S)N)C#N
PubChem CID	11770396

Physical properties
Physical form	Solid
LogP (XLogP3)	2.4
H-bond donors / acceptors	1 / 3
TPSA	91.1 Å²
Synonyms	3-Cyano-4-isobutoxybenzothioamide, Cyano-4-isobutoxythiobenzamide, 3-cyano-4-(2-methylpropoxy)benzene-1-carbothioamide, 3-cyano-4-isobutoxythiobenzamide, 3-cyano-4-isobutoxythio-benzamide, 3-cyano-4-isobutoxy benzothioamide, 3-cyano-4-isobutoxy-benzenecarbothioamide

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 3-Cyano-4-isobutyloxythiobenzamide?

The CAS Registry Number of 3-Cyano-4-isobutyloxythiobenzamide is 163597-57-7. It is also known as 3-Cyano-4-isobutoxybenzothioamide, Cyano-4-isobutoxythiobenzamide, 3-cyano-4-(2-methylpropoxy)benzene-1-carbothioamide.

What is the molecular formula and molecular weight of 3-Cyano-4-isobutyloxythiobenzamide?

3-Cyano-4-isobutyloxythiobenzamide has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-cyano-4-(2-methylpropoxy)benzenecarbothioamide.

What is 3-Cyano-4-isobutyloxythiobenzamide used for?

3-Cyano-4-isobutyloxythiobenzamide is supplied as a characterised reference material related to Febuxostat. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 3-Cyano-4-isobutyloxythiobenzamide can I order?

We supply 3-Cyano-4-isobutyloxythiobenzamide in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 3-Cyano-4-isobutyloxythiobenzamide?

Yes. Every lot of 3-Cyano-4-isobutyloxythiobenzamide is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 3-Cyano-4-isobutyloxythiobenzamide be shipped internationally?

Yes. We export 3-Cyano-4-isobutyloxythiobenzamide worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.