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Chemistry

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Also known as: 3-aminothiolan-2-one, 3-aminodihydrothiophen-2-one, 10593-85-8, 14007-10-4, Dl-3-aminotetrahydro-2-thiophenone, (+-)-3-aminodihydro-2(3h)-thiophenone
Molecular Formula
C4H7NOS
Molecular Weight
117.17  g/mol
InChI Key
KIWQWJKWBHZMDT-UHFFFAOYSA-N
FDA UNII
D5H88XF24X

Dl-Homocysteine Thiolactone
1 2D Structure

Dl-Homocysteine Thiolactone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-aminothiolan-2-one
2.1.2 InChI
InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
2.1.3 InChI Key
KIWQWJKWBHZMDT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CSC(=O)C1N
2.2 Other Identifiers
2.2.1 UNII
D5H88XF24X
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Hcy-thiolactone

2. Homocysteine Thiolactone

3. Homocysteine Thiolactone Hydrochloride

4. Homocysteine Thiolactone Hydrochloride, (+-)-isomer

5. Homocysteine Thiolactone Perchlorate Salt

6. Homocysteine Thiolactone Perchlorate, (s)-isomer

7. Homocysteine Thiolactone, (+-)-isomer

8. Homocysteine Thiolactone, (s)-isomer

9. Homocysteine Thiolactone, Dl

10. Homocysteine-thiolactone

2.3.2 Depositor-Supplied Synonyms

1. 3-aminothiolan-2-one

2. 3-aminodihydrothiophen-2-one

3. 10593-85-8

4. 14007-10-4

5. Dl-3-aminotetrahydro-2-thiophenone

6. (+-)-3-aminodihydro-2(3h)-thiophenone

7. 3-aminodihydro-2(3h)-thiophenone

8. 3-aminodihydrothiophen-2(3h)-one

9. D5h88xf24x

10. 2(3h)-thiophenone, 3-aminodihydro-

11. (+-)-3-amino-2-thiolanon

12. 2(3h)-thiophenone, 3-aminodihydro-, (+-)-

13. Homocysteinthiolacton

14. Homocysteinethiolactone

15. Unii-d5h88xf24x

16. Schembl845868

17. ( -)-3-amino-2-thiolanon

18. Chembl3272518

19. 3-aminotetrahydrothiophene-2-one

20. Dtxsid50863228

21. Bbl028068

22. Homocysteine Thiolactone, Dl-

23. Stl352056

24. ( -)-3-aminotetrahydro-2-thiophenon

25. (+-)-3-aminotetrahydro-2-thiophenon

26. Akos001053243

27. 3-aminotetrahydrothiophen-2-one

28. Sb47031

29. (+/-)-homocysteine Thiolactone

30. Homocysteine Thiolactone [who-dd]

31. (2-oxotetrahydrothiophen-3-yl)amine

32. 2(3h)-thiophenone, 3-aminodihydro-, (3s)-

33. 007h104

34. A906044

35. 2-(carboxymethyl-amino)-4-chloro-benzoicacid

36. Q27276123

37. Butanoic Acid, 2-amino-4-mercapto-, .gamma.-(thio Lactone)

38. Butyric Acid, 2-amino-4-mercapto-, .gamma.-(thio Lactone)

39. C0e89172-3f00-4ba6-9494-6129358d1890

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 117.17 g/mol
Molecular Formula C4H7NOS
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass117.02483502 g/mol
Monoisotopic Mass117.02483502 g/mol
Topological Polar Surface Area68.4 Ų
Heavy Atom Count7
Formal Charge0
Complexity93.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Radiation-Protective Agents

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military. (See all compounds classified as Radiation-Protective Agents.)


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