3-(4-cyanopyridin-2-ylthio)benzoic acid

Modify Date: 2025-08-25 17:58:50

3-(4-cyanopyridin-2-ylthio)benzoic acid Structure
3-(4-cyanopyridin-2-ylthio)benzoic acid structure
 Common Name 3-(4-cyanopyridin-2-ylthio)benzoic acid
CAS Number 888968-32-9 Molecular Weight 256.28000
Density N/A Boiling Point N/A
Molecular Formula C13H8N2O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-(4-cyanopyridin-2-yl)sulfanylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C13H8N2O2S
Molecular Weight 256.28000
Exact Mass 256.03100
PSA 99.28000
LogP 2.80268

 Synthetic Route

2-Chloro-4-cyanopyridine structure

2-Chloro-4-cyan...

CAS#:33252-30-1

3-Sulfanylbenzoic acid structure

3-Sulfanylbenzo...

CAS#:4869-59-4

~50%

3-(4-cyanopyridin-2-ylthio)benzoic acid Structure

3-(4-cyanopyrid...

CAS#:888968-32-9

Literature: ELI LILLY AND COMPANY Patent: WO2006/57860 A1, 2006 ; Location in patent: Page/Page column 73 ; WO 2006/057860 A1

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

3-(4-cyano-pyridin-2-ylsulfanyl)-benzoic acid
Benzoic acid,3-[(4-cyano-2-pyridinyl)thio]
3-(4-cyanopyridin-2-ylthio)benzoic acid
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