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2D Structure
Also known as: 3-acetyl-2,5-dichlorothiophene, 36157-40-1, Einecs 252-893-3, Dtxsid60189724, Dtxcid20112215, 252-893-3
Molecular Formula
C6H4Cl2OS
Molecular Weight
195.07  g/mol
InChI Key
GYFDNIRENHZKGR-UHFFFAOYSA-N
FDA UNII
QRT2T98QV7

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2,5-dichlorothiophen-3-yl)ethanone
2.1.2 InChI
InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
2.1.3 InChI Key
GYFDNIRENHZKGR-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
QRT2T98QV7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3-acetyl-2,5-dichlorothiophene

2. 36157-40-1

3. Einecs 252-893-3

4. Dtxsid60189724

5. Dtxcid20112215

6. 252-893-3

7. 1-(2,5-dichlorothiophen-3-yl)ethanone

8. 1-(2,5-dichlorothiophen-3-yl)ethan-1-one

9. 1-(2,5-dichloro-3-thienyl)ethanone

10. Ethanone, 1-(2,5-dichloro-3-thienyl)-

11. Mfcd00014522

12. 2,5-dichloro-3-thienyl Methyl Ketone

13. 1-(2,5-dichlorothien-3-yl)ethan-1-one

14. 1-(2,5-dichloro-thiophen-3-yl)-ethanone

15. Qrt2t98qv7

16. Bidd:gt0097

17. Schembl542159

18. Gyfdnirenhzkgr-uhfffaoysa-

19. Chebi:194727

20. Stk427054

21. Akos000276629

22. Ac-6966

23. Cs-w010632

24. Pb47335

25. 3-acetyl-2,5-dichlorothiophene, 98%

26. 1-(2,5-dichloro-3-thienyl)ethanone #

27. Sy034796

28. 1-(2,5-dichloro-3-thienyl)-1-ethanone

29. Db-048925

30. A1182

31. Ns00029985

32. En300-13118

33. 7m-751

34. P10027

35. Z89265801

36. F0001-2738

37. Inchi=1/c6h4cl2os/c1-3(9)4-2-5(7)10-6(4)8/h2h,1h3

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 195.07 g/mol
Molecular Formula C6H4Cl2OS
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area45.3
Heavy Atom Count10
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1