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 Formula	C₁₆H₁₆N₂O₂S₂
Molecular Weight	332.4 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	332.06532010 g/mol
Monoisotopic Mass	332.06532010 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	356
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

CAS 2527-58-4

CAS 2527-58-4

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