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Also known as: 2527-58-4, 2,2'-dithiobis[n-methylbenzamide], 2,2'-dithiobis[n-methyl-benzamide], 2,2'-disulfanediylbis(n-methylbenzamide), 2,2'-dithiobis(n-methylbenzamide), N-methyl-2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
Molecular Formula
C16H16N2O2S2
Molecular Weight
332.4  g/mol
InChI Key
JEVCLNJEBFWVPD-UHFFFAOYSA-N
FDA UNII
YLD3A8PP4Z

CAS 2527-58-4
1 2D Structure

CAS 2527-58-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-methyl-2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
2.1.2 InChI
InChI=1S/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
2.1.3 InChI Key
JEVCLNJEBFWVPD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NC
2.2 Other Identifiers
2.2.1 UNII
YLD3A8PP4Z
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2527-58-4

2. 2,2'-dithiobis[n-methylbenzamide]

3. 2,2'-dithiobis[n-methyl-benzamide]

4. 2,2'-disulfanediylbis(n-methylbenzamide)

5. 2,2'-dithiobis(n-methylbenzamide)

6. N-methyl-2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide

7. Dithio-2,2'-bis(n-methylbenzamide)

8. Yld3a8pp4z

9. Benzamide, 2,2'-dithiobis(n-methyl-

10. Unii-yld3a8pp4z

11. N-methyl-2-{[2-(methylcarbamoyl)phenyl]disulfanyl}benzamide

12. Einecs 219-768-5

13. Densil P

14. Schembl751813

15. Dtxsid3062495

16. 2,2'-dithiobis[n-methylbenzamid]

17. Amy14853

18. Zinc1841176

19. 2,2\'-dithiobis[n-methylbenzamide]

20. Mfcd00025633

21. 2,2'-dithiobis[n-(methyl)benzamide]

22. Akos015896158

23. Ac-27378

24. Cs-0379459

25. Ft-0653219

26. 2,2'-disulfanediylbis-n-methylbenzamide

27. F11630

28. A817754

29. Q27294574

2.4 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 332.4 g/mol
Molecular Formula C16H16N2O2S2
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass332.06532010 g/mol
Monoisotopic Mass332.06532010 g/mol
Topological Polar Surface Area109 Ų
Heavy Atom Count22
Formal Charge0
Complexity356
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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