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Suanfarma Suanfarma

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Technical details about CAS 186204-35-3, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 186204-35-3, (r,r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane, [(1r,2r)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate, (1r,2r)-1,2-bis[[(methylsulfonyl)oxy]methyl]cyclohexane, 139506-07-3, (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane
Molecular Formula
C10H20O6S2
Molecular Weight
300.4  g/mol
InChI Key
JIHKCHWEXXZTOU-UWVGGRQHSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1R,2R)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
2.1.2 InChI
InChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
2.1.3 InChI Key
JIHKCHWEXXZTOU-UWVGGRQHSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)OCC1CCCCC1COS(=O)(=O)C
2.1.5 Isomeric SMILES
CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 186204-35-3

2. (r,r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane

3. [(1r,2r)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl Methanesulfonate

4. (1r,2r)-1,2-bis[[(methylsulfonyl)oxy]methyl]cyclohexane

5. 139506-07-3

6. (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane

7. 1,2-cyclohexanedimethanol, 1,2-dimethanesulfonate, (1r,2r)-rel-

8. Mfcd12923309

9. Nsc76458

10. Schembl924034

11. (1r,2r)-1,2-cyclohexanedimethanol 1,2-dimethanesulfonate

12. Dtxsid70291564

13. Amy32497

14. Zinc1709848

15. Nsc-76458

16. Akos015999600

17. Ac-24376

18. Ds-16691

19. Cs-0031399

20. Trans-1,2-bis(methanesulfonyloxymethyl)cyclohexane

21. A1-00283

22. J-502303

23. (r,r)-1,2-bis(methanesulfonyloxymethyl)-cyclohexane

24. (r,r)-trans-1,2-bis(methanesulfonyloxymethyl)cyclohexane

25. [(1r,2r)-cyclohexane-1,2-diyl]bis(methylene) Dimethanesulfonate

26. [(1r,2r)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl Methanesulfonate

27. Bis(methanesulfonic Acid)[(1r,2r)-1,2-cyclohexanediyl]bismethylene Ester

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 300.4 g/mol
Molecular Formula C10H20O6S2
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass300.07013070 g/mol
Monoisotopic Mass300.07013070 g/mol
Topological Polar Surface Area104 Ų
Heavy Atom Count18
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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