CAS 27605-76-1

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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

CAS 27605-76-1

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 Formula	C₁₀H₉NO₃S
Molecular Weight	223.25 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	64.1
Heavy Atom Count	15
Formal Charge	0
Complexity	380
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

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