CAS 6038-19-3

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Chemistry

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Also known as: 6038-19-3, 3-aminodihydrothiophen-2(3h)-one hydrochloride, Dl-homocysteinethiolactone hydrochloride, Hctl hydrochloride, 3-aminothiolan-2-one hydrochloride, Dl-homocysteinethiolactone hcl

Molecular Formula

C₄H₈ClNOS

Molecular Weight

153.63 g/mol

InChI Key

ZSEGSUBKDDEALH-UHFFFAOYSA-N

FDA UNII

5D8467GAGD

1 2D Structure

CAS 6038-19-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-aminothiolan-2-one;hydrochloride

2.1.2 InChI

InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H

2.1.3 InChI Key

ZSEGSUBKDDEALH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CSC(=O)C1N.Cl

2.2 Other Identifiers

2.2.1 UNII

5D8467GAGD

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. 6038-19-3

2. 3-aminodihydrothiophen-2(3h)-one Hydrochloride

3. Dl-homocysteinethiolactone Hydrochloride

4. Hctl Hydrochloride

5. 3-aminothiolan-2-one Hydrochloride

6. Dl-homocysteinethiolactone Hcl

7. Dl-homocysteine Thiolactone Hcl

8. D,l-homocysteine Thiolactone Hydrochloride

9. Mfcd00012724

10. Homocysteine Thiolactone Hydrochloride, Dl-

11. 5d8467gagd

12. Nsc-22879

13. 6038-19-3 (hcl)

14. Dl-homocysteine Thiolactone (hydrochloride)

15. Einecs 227-923-3

16. Unii-5d8467gagd

17. L-2-amino-4-mercaptobutyric Acid 1,4-thiolactone Hydrochloride

18. D,l-homocysteinthiolakton Chlorid [german]

19. Dl-homocystein Thiolactone Hcl

20. D,l-homocysteinthiolakton Chlorid

21. (+-)-dihydro-3-amino-2(3h)-thiophenone Hydrochloride

22. Homocysteine Thiolactone Hydrochloride

23. 2(3h)-thiophenone, Dihydro-3-amino-, Hydrochloride, (+-)-

24. 3622-59-1

25. Schembl1119733

26. Chembl3245370

27. 3-aminothiolan-2-one;hydrochloride

28. Amy25724

29. Bcp24448

30. Nsc22879

31. Akos008966943

32. Gs-3012

33. Sb44905

34. Dl Homocysteine Thiolactone Hydrochloride

35. Ac-31997

36. Sy038927

37. Db-048115

38. Hy-101404

39. L-homocysteinethiolactonehydrochloride

40. Cs-0021300

41. Ft-0625471

42. Ft-0639001

43. H0646

44. 3-aminodihydrothiophen-2(3h)-onehydrochloride

45. 3-aminodihydro-2(3h)-thiophenone Hydrochloride

46. F17227

47. Dl-3-aminotetrahydrothiophen-2-one Hydrochloride

48. A832712

49. 2(3h)-thiophenone, 3-aminodihydro-, Hydrochloride

50. W-105254

51. Homocysteine Dl-form Thiolactone Hydrochloride

52. Homocysteine Thiolactone Hydrochloride [who-dd]

53. Q27261865

54. Z56922158

55. (+/-)-dihydro-3-amino-2(3h)-thiophenone Hydrochloride

56. F2190-0527

57. Homocysteine Thiolactone Hydrochloride, (+/-)-

58. Dl-homocysteine Thiolactone Hydrochloride, >=99.0% (at)

59. Homocysteine Dl-form Thiolactone Hydrochloride [mi]

60. 2(3h)-thiophenone, 3-aminodihydro-, Hydrochloride (1:1)

61. 2(3h)-thiophenone, 3-aminodihydro-, Hydrochloride, (+/-)-

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₄H₈ClNOS
Molecular Weight	153.63 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	153.0015127 g/mol
Monoisotopic Mass	153.0015127 g/mol
Topological Polar Surface Area	68.4 Å²
Heavy Atom Count	8
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	2

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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