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2D Structure
Also known as: 152922-73-1, Methyl 2-[1-(sulfanylmethyl)cyclopropyl]acetate, Methyl 1-(mercaptomethyl)cyclopropane acetate, Methy 1-(mercaptomethyl)cyclopropane acetate, Cyclopropaneacetic acid, 1-(mercaptomethyl)-, methyl ester, Methyl [1-(mercaptomethyl)cyclopropyl]acetate
Molecular Formula
C7H12O2S
Molecular Weight
160.24  g/mol
InChI Key
JRHLVNAWLWIHDN-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-[1-(sulfanylmethyl)cyclopropyl]acetate
2.1.2 InChI
InChI=1S/C7H12O2S/c1-9-6(8)4-7(5-10)2-3-7/h10H,2-5H2,1H3
2.1.3 InChI Key
JRHLVNAWLWIHDN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)CC1(CC1)CS
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 152922-73-1

2. Methyl 2-[1-(sulfanylmethyl)cyclopropyl]acetate

3. Methyl 1-(mercaptomethyl)cyclopropane Acetate

4. Methy 1-(mercaptomethyl)cyclopropane Acetate

5. Cyclopropaneacetic Acid, 1-(mercaptomethyl)-, Methyl Ester

6. Methyl [1-(mercaptomethyl)cyclopropyl]acetate

7. Methyl 2-(1-(mercaptomethyl)cyclopropyl)acetate

8. Methyl 2-[1-(mercaptomethyl)cyclopropyl]acetate

9. Schembl594992

10. Dtxsid801192074

11. Albb-033010

12. Bcp12043

13. Ac-586

14. Mfcd09832879

15. Zinc21298141

16. Akos006326847

17. As-66428

18. Cs-0264516

19. Ft-0648913

20. En300-93003

21. Methyl 1-(mercaptomethyl)-cyclopropane Acetate

22. Methyl2-(1-(mercaptomethyl)cyclopropyl)acetate

23. 922m731

24. J-521732

25. 1-(mercaptomethyl)cyclopropaneacetic Acid Methyl Ester

26. (1-mercaptomethyl-cyclopropyl)-acetic Acid Methyl Ester

27. [1-(mercaptomethyl)cyclopropyl]acetic Acid Methyl Ester

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 160.24 g/mol
Molecular Formula C7H12O2S
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass160.05580079 g/mol
Monoisotopic Mass160.05580079 g/mol
Topological Polar Surface Area27.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1