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2D Structure
Also known as: Ethyl iodide, 75-03-6, Ethane, iodo-, Monoiodoethane, Hydriodic ether, Ethyliodide
Molecular Formula
C2H5I
Molecular Weight
155.97  g/mol
InChI Key
HVTICUPFWKNHNG-UHFFFAOYSA-N
FDA UNII
59PO05D39L

ethyl iodide is a natural product found in Mastocarpus stellatus, Fucus vesiculosus, and other organisms with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
iodoethane
2.1.2 InChI
InChI=1S/C2H5I/c1-2-3/h2H2,1H3
2.1.3 InChI Key
HVTICUPFWKNHNG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCI
2.2 Other Identifiers
2.2.1 UNII
59PO05D39L
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Ethyl Iodide

2. 75-03-6

3. Ethane, Iodo-

4. Monoiodoethane

5. Hydriodic Ether

6. Ethyliodide

7. Iodo-ethane

8. Ethyljodid

9. Jodethan

10. 1-iodoethane

11. Nsc 8825

12. C2h5i

13. 59po05d39l

14. Nsc-8825

15. Jodethan [czech]

16. Ethyljodid [czech]

17. Iodoethane (2,2,2-d3)

18. Einecs 200-833-1

19. Ethyliodid

20. Ethyliodine

21. Iodanylethane

22. Iodethane

23. Iodoethan

24. Ethyl Iodine

25. Iodo Ethane

26. Unii-59po05d39l

27. Ai3-28593

28. 2-iodoethane

29. 1-iodethane

30. 1-iodo Ethane

31. 1-iodo Ethan

32. Iodoethane Over Cu

33. Mfcd00001091

34. Et-i

35. 1-iodo-ethane

36. Ch3ch2i

37. Ethyl Iodide [mi]

38. Schembl5055

39. Dtxsid9058783

40. Chebi:42487

41. Nsc8825

42. Amy39500

43. Bcp26938

44. Bbl034620

45. Stl185613

46. Akos000119806

47. Bp-21421

48. I0058

49. A838307

50. Q417320

51. F2190-0171

52. Iodoethane, Contains Copper As Stabilizer, Reagentplus(r), 99%

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 155.97 g/mol
Molecular Formula C2H5I
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass155.94360 g/mol
Monoisotopic Mass155.94360 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count3
Formal Charge0
Complexity2.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

1-iodoethane has known human metabolites that include ethylglutathione.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560