2H,3H-thieno[3,4-b][1,4]dioxine

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Also known as: 3,4-ethylenedioxythiophene, 126213-50-1, Edot, Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-, 2,3-dihydrothieno[3,4-b]-1,4-dioxin, 3,4-ethylenedioxythiopene

Molecular Formula

C₆H₆O₂S

Molecular Weight

142.18 g/mol

InChI Key

GKWLILHTTGWKLQ-UHFFFAOYSA-N

FDA UNII

8SEC7Q2K7G

1 2D Structure

CAS 126213-50-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydrothieno[3,4-b][1,4]dioxine

2.1.2 InChI

InChI=1S/C6H6O2S/c1-2-8-6-4-9-3-5(6)7-1/h3-4H,1-2H2

2.1.3 InChI Key

GKWLILHTTGWKLQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COC2=CSC=C2O1

2.2 Other Identifiers

2.2.1 UNII

8SEC7Q2K7G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3,4-ethylenedioxythiophene

2.3.2 Depositor-Supplied Synonyms

1. 3,4-ethylenedioxythiophene

2. 126213-50-1

3. Edot

4. Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-

5. 2,3-dihydrothieno[3,4-b]-1,4-dioxin

6. 3,4-ethylenedioxythiopene

7. 2h,3h-thieno[3,4-b][1,4]dioxine

8. 8sec7q2k7g

9. Thieno(3,4-b)-1,4-dioxin, 2,3-dihydro-

10. 3,4-ethylenedioxy Thiophene

11. Pedot Powder

12. 3,4-ethylendioxythiophene

13. 3.4-ethylenedioxythiophene

14. Unii-8sec7q2k7g

15. 3,4-ethylene Dioxythiophene

16. Schembl33274

17. 3,4-(ethylenedioxy)thiophene

18. Bidd:gt0025

19. Dtxsid40888925

20. 3-ethyl-2h-thiophene-2,3-diol

21. 3,4-ethylenedioxythiophene, 97%

22. Am711

23. 3 Pound Not4-ethylenedioxythiophene

24. Bcp18919

25. Cs-d0713

26. Ac-416

27. Bbl103634

28. Mfcd02093622

29. Stl557444

30. Akos000270773

31. Sb66405

32. As-14513

33. 2,3-dihydrothieno-(3,4-b)-1,4-dioxin

34. 2,3-dihydrothieno[3,4-beta]-1,4-dioxin

35. Db-024804

36. E0741

37. K-192

38. Ns00077691

39. En300-86156

40. A805531

41. Q-200345

42. F0001-0387

2.4 Create Date

2005-09-14

3 Chemical and Physical Properties

Molecular Formula	C₆H₆O₂S
Molecular Weight	142.18 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	46.7
Heavy Atom Count	9
Formal Charge	0
Complexity	95.2
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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