Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 13205-48-6, 4-methylsulfanylbenzoic acid, Benzoic acid, 4-(methylthio)-, 4-(methylsulfanyl)benzoic acid, P-(methylthio)benzoic acid, Benzoic acid, p-(methylthio)-

Molecular Formula

C₈H₈O₂S

Molecular Weight

168.21 g/mol

InChI Key

KWHCPERWLHBLOT-UHFFFAOYSA-N

1 2D Structure

P-Methiobenzoic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methylsulfanylbenzoic acid

2.1.2 InChI

InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)

2.1.3 InChI Key

KWHCPERWLHBLOT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CSC1=CC=C(C=C1)C(=O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 4-mtb

2.2.2 Depositor-Supplied Synonyms

1. 13205-48-6

2. 4-methylsulfanylbenzoic Acid

3. Benzoic Acid, 4-(methylthio)-

4. 4-(methylsulfanyl)benzoic Acid

5. P-(methylthio)benzoic Acid

6. Benzoic Acid, P-(methylthio)-

7. 562836-64-0

8. 4-(methylthio) Benzoic Acid

9. Einecs 236-171-5

10. Nsc400301

11. 4-(methylthio)-benzoic Acid

12. Schembl27422

13. 4-methylsulfanyl-benzoic Acid

14. Chembl99816

15. Para-(methylthio)-benzoic Acid

16. Dtxsid80157324

17. 4-(methylsulfanyl)benzoic Acid #

18. Hms1730c04

19. Zinc388275

20. 4-(methylthio)benzoic Acid, 97%

21. Amy15204

22. Fd7312

23. Mfcd00002555

24. Akos000264501

25. Nsc 400301

26. Nsc-400301

27. Ac-16437

28. As-49312

29. Db-072129

30. Cs-0063816

31. Ft-0616817

32. Ft-0731960

33. M1675

34. J-513776

35. J-620019

36. Z57989066

37. F2145-0977

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₈O₂S
Molecular Weight	168.21 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	168.02450067 g/mol
Monoisotopic Mass	168.02450067 g/mol
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1