4CH-019656

4CH-019656

Chemistry, 4 End Use API, 8 Related Intermediates

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1 INTERMEDIATES

1 INTERMEDIATES

Also known as: 2-[1-(mercaptomethyl)cyclopropyl]acetic acid, 1-(mercaptomethyl)cyclopropaneacetic acid, 2-(1-(mercaptomethyl)cyclopropyl)acetic acid, 1-(mercaptomethyl)-cyclopropaneacetic acid, Unii-1x00t93wyx, Cyclopropaneacetic acid, 1-(mercaptomethyl)-

Molecular Formula

C₆H₁₀O₂S

Molecular Weight

146.204 g/mol

InChI Key

VFAXPOVKNPTBTM-UHFFFAOYSA-N

FDA UNII

1X00T93WYX

1 2D Structure

4CH-019656

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[1-(sulfanylmethyl)cyclopropyl]acetic acid

2.1.2 InChI

InChI=1S/C6H10O2S/c7-5(8)3-6(4-9)1-2-6/h9H,1-4H2,(H,7,8)

2.1.3 InChI Key

VFAXPOVKNPTBTM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1(CC(=O)O)CS

2.2 Other Identifiers

2.2.1 UNII

1X00T93WYX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2-[1-(mercaptomethyl)cyclopropyl]acetic Acid

2. 1-(mercaptomethyl)cyclopropaneacetic Acid

3. 2-(1-(mercaptomethyl)cyclopropyl)acetic Acid

4. 1-(mercaptomethyl)-cyclopropaneacetic Acid

5. Unii-1x00t93wyx

6. Cyclopropaneacetic Acid, 1-(mercaptomethyl)-

7. 2-[1-(sulfanylmethyl)cyclopropyl]acetic Acid

8. 1-(mercaptomethyl)cyclopropylacetic Acid

9. [1-(mercaptomethyl)cyclopropyl]acetic Acid

10. Sbb053445

11. 1-(mercaptomethyl)cyclopropaneaceticacid

12. [1-(sulfanylmethyl)cyclopropyl]acetic Acid

13. 2-[(sulfanylmethyl)cyclopropyl]acetic Acid

14. Montelukast Intermdiates

15. Montelukast Intermediate

16. Acmc-209doh

17. Ksc174s2b

18. Schembl625309

19. 1-(mercaptomethyl)-cyclopropyl

20. 1x00t93wyx

21. Jsp003256

22. Ctk0h4920

23. Ks-00000zgg

24. Dtxsid00167384

25. Molport-001-767-786

26. Vfaxpovknptbtm-uhfffaoysa-n

27. Amx10105

28. Zinc2524900

29. Anw-21999

30. Cm-486

31. Mfcd03411600

32. Akos006379354

33. Am84551

34. An-6799

35. Mcule-2805511819

36. Rtr-006954

37. (1-mercaptomethylcyclopropyl)acetic Acid

38. Aj-68240

39. Ak-33557

40. I094

41. Kb-64065

42. Or001062

43. Sc-16147

44. (1-mercaptomethyl-cyclopropyl)-acetic Acid

45. 1-(mercaptomethyl) Cyclopropaneacetic Acid

46. 1-(mercapto Methyl)cyclopropane Acetic Acid

47. 1-(mercaptomethyl) Cyclopropane Acetic Acid

48. Ab0013479

49. Cyclopropaneaceticacid, 1-(mercaptomethyl)-

50. St2401778

51. Tl8001241

52. Tr-006954

53. 4ch-019656

54. Ft-0082379

55. Ft-0602336

56. M2074

57. St50949654

58. En300-91513

59. N-boc-4-piperidinylpropionic Acid Methyl Ester

60. 1-(mercaptomethyl)cyclopropaneacetic Acid, 97%

61. M-3246

62. 1-(mercaptomethyl)cyclopropyl Acetic Acid 98+%

63. 515m686

64. I04-0971

65. J-507629

66. Z1741972969

67. Montelukast Sodium - 2-[1-(mercaptomethyl)cyclopropyl]acetic Acid

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₂S
Molecular Weight	146.204 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	146.04 g/mol
Monoisotopic Mass	146.04 g/mol
Topological Polar Surface Area	38.3 A^2
Heavy Atom Count	9
Formal Charge	0
Complexity	129
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	1