CAS 6746-81-2

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BUILDING BLOCK

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1 End Use APIs
2 Related Intermediates

Chemistry

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Also known as: 6746-81-2, Glycidyl tosylate, Glycidyl 4-toluenesulfonate, Toluene-4-sulfonic acid oxiranylmethyl ester, (oxiran-2-yl)methyl 4-methylbenzene-1-sulfonate, Qt428577jz

Molecular Formula

C₁₀H₁₂O₄S

Molecular Weight

228.27 g/mol

InChI Key

NOQXXYIGRPAZJC-UHFFFAOYSA-N

FDA UNII

QT428577JZ

1 2D Structure

CAS 6746-81-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

oxiran-2-ylmethyl 4-methylbenzenesulfonate

2.1.2 InChI

InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3

2.1.3 InChI Key

NOQXXYIGRPAZJC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CO2

2.2 Other Identifiers

2.2.1 UNII

QT428577JZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (2r)-glycidyl Tosylate

2. (2s)-glycidyl Tosylate

3. Glycidyl Tosylate

2.3.2 Depositor-Supplied Synonyms

1. 6746-81-2

2. Glycidyl Tosylate

3. Glycidyl 4-toluenesulfonate

4. Toluene-4-sulfonic Acid Oxiranylmethyl Ester

5. (oxiran-2-yl)methyl 4-methylbenzene-1-sulfonate

6. Qt428577jz

7. Nsc-143322

8. Oxiranemethanol, 4-methylbenzenesulfonate

9. Glycidyl Tosylate Oxiran-2-ylmethyl-4-methylbenzenesulfonate

10. (2r)-(-)-glycidyltosylate

11. 4-methylbenzenesulfonic Acid 2-oxiranylmethyl Ester

12. 2-oxiranylmethyl 4-methylbenzenesulfonate

13. Mfcd00010834

14. Nsc636971

15. 2-oxiranylmethyl 4-methylbenzenesulfonate #

16. Oxiran-2-ylmethyl4-methylbenzenesulfonate

17. (+/-)-glycidyl Tosylate

18. 2-oxiranemethanol,2-(4-methylbenzenesulfonate)

19. Schembl439063

20. Unii-qt428577jz

21. (s)-2,3-epoxy-1-propyl P-toluenesulfonate

22. 2,3-epoxypropyl Tosylate

23. Dtxsid40867977

24. Glycidol P-toluenesulfonate

25. Act05640

26. Ab1463

27. Mfcd00066850

28. Nsc143322

29. P-toluenesulfonic Acid Glycidyl Ester

30. Glycidyl Tosylate, (+/-)-

31. Akos015892751

32. Nsc 143322

33. Sb38241

34. Sy017230

35. Db-010809

36. Db-029868

37. 1-propanol, 2,3-epoxy-, P-toluenesulfonate

38. Cs-0187599

39. Ft-0601497

40. Ft-0605069

41. Ft-0658535

42. Oxiran-2-ylmethyl 4-methylbenzene-1-sulfonate

43. 2,3-epoxy-1-propyl P-toluenesulfonate

44. (2s)-oxiran-2-ylmethyl 4-methylbenzenesulphonate

45. A803099

46. A835758

47. 2-oxiranemethanol, 2-(4-methylbenzenesulfonate)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₄S
Molecular Weight	228.27 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	228.04563003 g/mol
Monoisotopic Mass	228.04563003 g/mol
Topological Polar Surface Area	64.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	298
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1