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Technical details about CAS 2527-58-4, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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

1 2D Structure

2D Structure

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
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