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2D Structure
Also known as: 1003-09-4, Thiophene, 2-bromo-, 2-thienyl bromide, Thiophene, bromo-, 2-bromo-thiophene, Bromothiophene
Molecular Formula
C4H3BrS
Molecular Weight
163.04  g/mol
InChI Key
TUCRZHGAIRVWTI-UHFFFAOYSA-N
FDA UNII
GFF929NUW7

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromothiophene
2.1.2 InChI
InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
2.1.3 InChI Key
TUCRZHGAIRVWTI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CSC(=C1)Br
2.2 Other Identifiers
2.2.1 UNII
GFF929NUW7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1003-09-4

2. Thiophene, 2-bromo-

3. 2-thienyl Bromide

4. Thiophene, Bromo-

5. 2-bromo-thiophene

6. Bromothiophene

7. 2-bromo Thiophene

8. Gff929nuw7

9. Nsc-4456

10. Thienyl Bromide

11. 5-bromothiophene

12. Nsc4456

13. 5-bromo-thiophene

14. 2-bromanylthiophene

15. Nsc 4456

16. Einecs 213-699-4

17. Mfcd00005417

18. 2-bromothiophene, 98%

19. Unii-gff929nuw7

20. Schembl22395

21. Bidd:gt0231

22. Dtxsid4061389

23. Amy21853

24. Bcp21550

25. Zinc1673392

26. Ac-194

27. Akos000121588

28. Cs-w020109

29. Ds-1962

30. Ps-5772

31. 60326-18-3

32. Db-020745

33. B0941

34. Ft-0611618

35. Ft-0611619

36. Ft-0689817

37. D77872

38. A800095

39. Q-200247

40. Q17487944

41. F0001-0036

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 163.04 g/mol
Molecular Formula C4H3BrS
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass161.91388 g/mol
Monoisotopic Mass161.91388 g/mol
Topological Polar Surface Area28.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity46.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1