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2D Structure
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

2D Structure

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