CAS 152922-73-1

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Chemistry

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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

CAS 152922-73-1

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 Formula	C₇H₁₂O₂S
Molecular Weight	160.24 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	160.05580079 g/mol
Monoisotopic Mass	160.05580079 g/mol
Topological Polar Surface Area	27.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	141
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