CAS 1071-37-0

Chemistry, 2 End Use API, 6 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 1071-37-0, 2-ethyl-2-thiopseudourea hydrobromide, Eit hydrobromide, Ethiron, Ethiron bromide, Ethyl carbamimidothioate hydrobromide

Molecular Formula

C₃H₉BrN₂S

Molecular Weight

185.09 g/mol

InChI Key

SWXXKWPYNMZFTE-UHFFFAOYSA-N

FDA UNII

T9389OA11M

1 2D Structure

CAS 1071-37-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl carbamimidothioate;hydrobromide

2.1.2 InChI

InChI=1S/C3H8N2S.BrH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H

2.1.3 InChI Key

SWXXKWPYNMZFTE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCSC(=N)N.Br

2.2 Other Identifiers

2.2.1 UNII

T9389OA11M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-ethylisothiourea Hydrobromide

2. Ethylisothiuronium Bromide

3. Ethyron

4. Etiron

5. Etiron Monohydrobromide

6. S-ethylisothiourea

2.3.2 Depositor-Supplied Synonyms

1. 1071-37-0

2. 2-ethyl-2-thiopseudourea Hydrobromide

3. Eit Hydrobromide

4. Ethiron

5. Ethiron Bromide

6. Ethyl Carbamimidothioate Hydrobromide

7. (ethylsulfanyl)methanimidamide Hydrobromide

8. S-ethylisothiouronium Hydrobromide

9. S-ethylisothiuronium Bromide

10. 2-ethylisothiourea Hydrobromide

11. S-ethylthiuronium Bromide

12. Bromide S-ethylisothiuronium

13. Usaf El-18

14. 2-ethylisothiourea Hydrobomide

15. Wr 539

16. Carbamimidothioic Acid, Ethyl Ester, Monohydrobromide

17. Ethyl Carbamimidothioate;hydrobromide

18. S-ethylisothiourea Hbr

19. S-ethylisothio Urea, Hydrobromide

20. Pseudourea, 2-ethyl-2-thio-, Hydrobromide

21. T9389oa11m

22. Nsc-27208

23. Isothuron Hydrobromide

24. Isothurone Hydrobromide

25. 2-ethylisothiourea

26. Sr-01000075856

27. Nsc 27208

28. S-ethylthiourea Hydrobromide

29. 2-ethyl-2-thiopseudourea, Hydrobromide

30. Pseudourea, 2-ethyl-2-thio-, Monohydrobromide

31. Mfcd00012585

32. Wln: Shyzun2

33. S-ethylthioureahydrobromide

34. Schembl18169

35. Ethyl Isothiourea Hydrobromide

36. Mls002153234

37. Spectrum1505161

38. Unii-t9389oa11m

39. S-ethylisothiourea-hydrobromide

40. Chembl1255945

41. (s)-ethylisothiourea Hydrobromide

42. Bcp20133

43. Nsc27208

44. Tox21_500491

45. Wr-539

46. Akos016353460

47. Ccg-221795

48. Lp00491

49. Ncgc00093894-01

50. Ncgc00093894-02

51. Ncgc00261176-01

52. As-63217

53. Smr001230700

54. Db-040735

55. 2-ethyl-2-thiopseudourea Hydrobromide, 98%

56. B6481

57. Cs-0021039

58. E0182

59. Eu-0100491

60. Ft-0633285

61. En300-70503

62. [amino(ethylsulfanyl)methylidene]azanium;bromide

63. D86401

64. E 3149

65. J-001710

66. Sr-01000075856-1

67. Sr-01000075856-3

68. Sr-01000075856-7

69. Carbamimidothioic Acid, Ethyl Ester, Hydrobromide (1:1)

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₃H₉BrN₂S
Molecular Weight	185.09 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	183.96698 g/mol
Monoisotopic Mass	183.96698 g/mol
Topological Polar Surface Area	75.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	52.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

Hypnotics and Sedatives

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. (See all compounds classified as Hypnotics and Sedatives.)

Vasoconstrictor Agents

Drugs used to cause constriction of the blood vessels. (See all compounds classified as Vasoconstrictor Agents.)