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2D Structure
Also known as: 251-41-2, 1,4-dithiapentalene, Thieno(3,2-b)thiophene, Thienothiophene, Mfcd00179479, Thieno[3,2-b]thiophene, homopolymer
Molecular Formula
C6H4S2
Molecular Weight
140.2  g/mol
InChI Key
VJYJJHQEVLEOFL-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
thieno[3,2-b]thiophene
2.1.2 InChI
InChI=1S/C6H4S2/c1-3-7-6-2-4-8-5(1)6/h1-4H
2.1.3 InChI Key
VJYJJHQEVLEOFL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CSC2=C1SC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 251-41-2

2. 1,4-dithiapentalene

3. Thieno(3,2-b)thiophene

4. Thienothiophene

5. Mfcd00179479

6. Thieno[3,2-b]thiophene, Homopolymer

7. 94479-77-3

8. 1,4-thiophthene

9. Thiophthen

10. Thieno[3,2-b]-thiophene

11. Schembl29149

12. Yswg277

13. Amot0005

14. Dtxsid80179783

15. Thieno[3,2-b]thiophene, 95%

16. Zinc165492

17. Act02305

18. Cs-d1729

19. Bbl103365

20. Stl557175

21. Akos008901312

22. As-2015

23. Sb66636

24. Ac-22785

25. Sy019859

26. Db-024762

27. Am20090288

28. Ft-0649134

29. T2513

30. 251t412

31. Ai-942/25034154

32. W-206930

33. Q27461625

34. J1z

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 140.2 g/mol
Molecular Formula C6H4S2
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass139.97544247 g/mol
Monoisotopic Mass139.97544247 g/mol
Topological Polar Surface Area56.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity80.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1