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AM015716

AM015716

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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

1 2D Structure

AM015716

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 Formula	C₄H₇NOS
Molecular Weight	117.17 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	117.02483502 g/mol
Monoisotopic Mass	117.02483502 g/mol
Topological Polar Surface Area	68.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	93.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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.)