Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: Ipa-3, 42521-82-4, Ipa 3, 1,1'-dithiodi-2-naphthol, 1,1'-disulfanediylbis(naphthalen-2-ol), Ipa3
Molecular Formula
C20H14O2S2
Molecular Weight
350.5  g/mol
InChI Key
RFAXLXKIAKIUDT-UHFFFAOYSA-N
FDA UNII
3XFG6MQ9G2

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
2.1.2 InChI
InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
2.1.3 InChI Key
RFAXLXKIAKIUDT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O
2.2 Other Identifiers
2.2.1 UNII
3XFG6MQ9G2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Ipa-3

2. 42521-82-4

3. Ipa 3

4. 1,1'-dithiodi-2-naphthol

5. 1,1'-disulfanediylbis(naphthalen-2-ol)

6. Ipa3

7. 2-naphthol, 1,1'-dithiodi-

8. 2-naphthalenol, 1,1'-dithiobis-

9. 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol

10. 3xfg6mq9g2

11. Chembl472940

12. Unii-3xfg6mq9g2

13. 1,1'-dithiodi-2-naphthtol

14. 1,1'-disulfanediyldinaphthalen-2-ol

15. Dihydroxydinaphthyldisulphide

16. Mls006011676

17. F0400-0044

18. Gtpl8940

19. Schembl4907161

20. Chebi:95062

21. Dtxsid70195311

22. Chebi:101355

23. Hms3229j05

24. Hms3263p06

25. Hms3414c17

26. Hms3653g03

27. Hms3678c17

28. Zinc1957909

29. Tox21_501272

30. Bdbm50112354

31. Mfcd00388917

32. S7093

33. Akos001589606

34. Ccg-222576

35. Cs-1432

36. Lp01272

37. Sdccgsbi-0207173.p002

38. 1,1'-disulfanediyldi(naphthalen-2-ol)

39. Ipa-3, >=95% (hplc), Powder

40. Ncgc00186047-01

41. Ncgc00186047-02

42. Ncgc00186047-12

43. Ncgc00261957-01

44. As-82043

45. Hy-15663

46. Smr001456562

47. Sw220299-1

48. D83674

49. 1-[(2-hydroxy-1-naphthyl)disulfanyl]-2-naphthol

50. A918483

51. 1-(2-hydroxynaphthalen-1-yl)disulfanylnaphthalen-2-ol

52. Q27078087

53. 1081767-20-5

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 350.5 g/mol
Molecular Formula C20H14O2S2
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass350.04352203 g/mol
Monoisotopic Mass350.04352203 g/mol
Topological Polar Surface Area91.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1