CAS 1003-09-4

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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

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 Formula	C₄H₃BrS
Molecular Weight	163.04 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	161.91388 g/mol
Monoisotopic Mass	161.91388 g/mol
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.8
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