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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

CAS 20054-45-9
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 Weight 167.23 g/mol
Molecular Formula C8H9NOS
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass167.04048508 g/mol
Monoisotopic Mass167.04048508 g/mol
Topological Polar Surface Area30.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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