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CAS 20054-45-9

Chemistry, 3 End Use API, 15 Related Intermediates

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3 Suppliers

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Also known as: 20054-45-9, N-methyl-2-sulfanylbenzamide, 2-mercapto-n-methyl-benzamide, Benzamide, 2-mercapto-n-methyl-, N-methylthiosalicylamide, 2- mercapto-n-methyllbenzamide

Molecular Formula

C₈H₉NOS

Molecular Weight

167.23 g/mol

InChI Key

VIFOAZNEQRHREM-UHFFFAOYSA-N

1 2D Structure

CAS 20054-45-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-methyl-2-sulfanylbenzamide

2.1.2 InChI

InChI=1S/C8H9NOS/c1-9-8(10)6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H,9,10)

2.1.3 InChI Key

VIFOAZNEQRHREM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC(=O)C1=CC=CC=C1S

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 20054-45-9

2. N-methyl-2-sulfanylbenzamide

3. 2-mercapto-n-methyl-benzamide

4. Benzamide, 2-mercapto-n-methyl-

5. N-methylthiosalicylamide

6. 2- Mercapto-n-methyllbenzamide

7. Ambz0056

8. Schembl2829218

9. Dtxsid10403947

10. Zinc397122

11. Bcp11862

12. Mfcd00136334

13. Akos000196042

14. Ac-26794

15. As-75577

16. Am20090683

17. Cs-0016511

18. Ft-0690189

19. F12015

20. 054m459

21. 3-(2-bromoacetyl)-5-chloro-n-(2-methoxyethyl)thiophene-2-sulfonamide

2.3 Create Date

2005-09-15

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NOS
Molecular Weight	167.23 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	167.04048508 g/mol
Monoisotopic Mass	167.04048508 g/mol
Topological Polar Surface Area	30.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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

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2-mercapto-N-methylbenzamide

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CAS Number

20054-45-9

End Use API

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, he...

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.

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