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2D Structure
Also known as: 27605-76-1, Oryzaemate, Oryzemate, 3-(allyloxy)benzo[d]isothiazole 1,1-dioxide, 3-(2-propenyloxy)-1,2-benzisothiazole 1,1-dioxide, 1,2-benzisothiazole, 3-(2-propenyloxy)-, 1,1-dioxide
Molecular Formula
C10H9NO3S
Molecular Weight
223.25  g/mol
InChI Key
WHHIPMZEDGBUCC-UHFFFAOYSA-N
FDA UNII
FGB5BLX49H

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
2.1.2 InChI
InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2
2.1.3 InChI Key
WHHIPMZEDGBUCC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=CCOC1=NS(=O)(=O)C2=CC=CC=C21
2.2 Other Identifiers
2.2.1 UNII
FGB5BLX49H
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-allyloxy-1,2-benzoisothiazole-1,1-dioxide

2. Oryzemate

2.3.2 Depositor-Supplied Synonyms

1. 27605-76-1

2. Oryzaemate

3. Oryzemate

4. 3-(allyloxy)benzo[d]isothiazole 1,1-dioxide

5. 3-(2-propenyloxy)-1,2-benzisothiazole 1,1-dioxide

6. 1,2-benzisothiazole, 3-(2-propenyloxy)-, 1,1-dioxide

7. 3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide

8. 1,2-benzisothiazole, 3-(2-propen-1-yloxy)-, 1,1-dioxide

9. Fgb5blx49h

10. Chebi:81778

11. Po-20

12. Brn 1214464

13. 3-(allyloxy)-1,2-benzisothiazole 1,1-dioxide

14. Probenazol

15. Probenazole [mi]

16. Unii-fgb5blx49h

17. Schembl23516

18. 1,2-benzisothiazole, 3-(allyloxy)-, 1,1-dioxide

19. Po20

20. Chembl2287211

21. Dtxsid7058048

22. Cba60576

23. Mfcd00274602

24. Akos015917662

25. As-16095

26. Db-047251

27. Ns00002007

28. P2802

29. 3-(allyloxy)-1,2-benzothiazole 1,1-dioxide

30. C18483

31. D95681

32. Probenazole, Pestanal(r), Analytical Standard

33. 3-allyloxy-1,2-benz[d]isothiazole 1,1-dioxide

34. 3-allyloxy-1,2-benzothiazole 1,1-dioxide

35. Probenazole; Ce10; Whhipmzedgbucc-uhfffaoysa-n

36. Q11336142

37. 3-(2-propen-1-yloxy)-1,2-benzisothiazole 1,1-dioxide

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 223.25 g/mol
Molecular Formula C10H9NO3S
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area64.1
Heavy Atom Count15
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1