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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

CAS 1003-09-4
1 2D Structure

CAS 1003-09-4

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

BUILDING BLOCK

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