CAS 251-41-2

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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

CAS 251-41-2

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 Formula	C₆H₄S₂
Molecular Weight	140.2 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	139.97544247 g/mol
Monoisotopic Mass	139.97544247 g/mol
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	80.5
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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