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CAS 109-80-8 manufacturers and suppliers on PharmaCompass

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  • Chemistry
CAS 109-80-8
Also known as: Propane-1,3-dithiol, 109-80-8, 1,3-dimercaptopropane, Trimethylene dimercaptan, Dithiotrimethyleneglycol, Trimethylenedithiol
Molecular Formula
C3H8S2
Molecular Weight
108.23  g/mol
InChI Key
ZJLMKPKYJBQJNH-UHFFFAOYSA-N
FDA UNII
R4LUJ82U52

1 2D Structure

CAS 109-80-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
propane-1,3-dithiol
2.1.2 InChI
InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
2.1.3 InChI Key
ZJLMKPKYJBQJNH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CS)CS
2.2 Other Identifiers
2.2.1 UNII
R4LUJ82U52
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Propane-1,3-dithiol

2. 109-80-8

3. 1,3-dimercaptopropane

4. Trimethylene Dimercaptan

5. Dithiotrimethyleneglycol

6. Trimethylenedithiol

7. Trimethylenedithioglycol

8. 1,3-propanedimercaptan

9. 1,3-propane Dithiol

10. Fema No. 3588

11. Ndr-132

12. 1,3-propyldimercaptan

13. R4luj82u52

14. Mfcd00004904

15. Einecs 203-706-9

16. Brn 1071197

17. Unii-r4luj82u52

18. 3-propanedithiol

19. Mercaptopropanethiol

20. 1,3-propandithiol

21. 1,3 Propanedithiol

22. 1,3-dithiolpropane

23. Trimethylene Dithiol

24. 1,3-propanedithiole

25. 1,3 Propane Dithiol

26. Propane 1,3-dithiol

27. Hs(ch2)3sh

28. Schembl25497

29. 1,3-propanedithiol, 99%

30. 4-01-00-02503 (beilstein Handbook Reference)

31. 1,3-trimethylenedithiol

32. Dtxsid0059376

33. Chebi:44864

34. Fema 3588

35. 1,3-propanedithiol [mi]

36. 1,3-propanedithiol [fhfi]

37. Zinc3860693

38. 1,3-propanedithiol, >=96%, Fg

39. Akos009031264

40. As-57507

41. Sy011314

42. Db-003157

43. Ft-0606744

44. P0763

45. F20376

46. A802090

47. Q-100053

48. Q4545685

49. F0001-0205

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 108.23 g/mol
Molecular Formula C3H8S2
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass108.00674260 g/mol
Monoisotopic Mass108.00674260 g/mol
Topological Polar Surface Area2 Ų
Heavy Atom Count5
Formal Charge0
Complexity12.4
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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