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2D Structure
Also known as: 162515-68-6, 2-[1-(mercaptomethyl)cyclopropyl]acetic acid, 2-(1-(mercaptomethyl)cyclopropyl)acetic acid, Cyclopropaneacetic acid, 1-(mercaptomethyl)-, 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid, 1-(mercaptomethyl)cyclopropylacetic acid
Molecular Formula
C6H10O2S
Molecular Weight
146.21  g/mol
InChI Key
VFAXPOVKNPTBTM-UHFFFAOYSA-N
FDA UNII
1X00T93WYX

1 2D Structure

2D Structure

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. 162515-68-6

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

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

4. Cyclopropaneacetic Acid, 1-(mercaptomethyl)-

5. 2-[1-(sulfanylmethyl)cyclopropyl]acetic Acid

6. 1-(mercaptomethyl)cyclopropylacetic Acid

7. 1-(mercaptomethyl)-cyclopropaneacetic Acid

8. [1-(mercaptomethyl)cyclopropyl]acetic Acid

9. 1x00t93wyx

10. Unii-1x00t93wyx

11. Ec 420-240-3

12. Schembl625309

13. Dtxsid00167384

14. Bcp07650

15. Zinc2524900

16. Mfcd03411600

17. Akos006379354

18. Am84551

19. (1-mercaptomethylcyclopropyl)acetic Acid

20. As-13402

21. 1-(mercaptomethyl) Cyclopropaneacetic Acid

22. 1-(mercaptomethyl)cyclopropaneacetic Acid,

23. 1-(mercapto Methyl)cyclopropane Acetic Acid

24. 2-(1-(mercaptomethyl)cyclopropyl)aceticacid

25. Cs-0088374

26. Ft-0602336

27. M2074

28. En300-91513

29. 1-(mercaptomethyl)cyclopropaneacetic Acid, 97%

30. T71880

31. 515m686

32. J-507629

33. Q27253004

34. Z1741972969

35. 1-(mercaptomethyl)cyclopropaneacetic Acid (2-[1-(sulfanylmethyl)cyclopropyl]acetic Acid)

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 146.21 g/mol
Molecular Formula C6H10O2S
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass146.04015073 g/mol
Monoisotopic Mass146.04015073 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1