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Also known as: 58861-48-6, 2-(4-fluorophenyl)-thiophene, 2-(4-fluoro-phenyl)-thiophene, 72tg563tmb, Canagliflozin related impurity 14, Mfcd06802535
Molecular Formula
C10H7FS
Molecular Weight
178.23  g/mol
InChI Key
PURJRGMZIKXDMW-UHFFFAOYSA-N
FDA UNII
72TG563TMB

CAS 58861-48-6
1 2D Structure

CAS 58861-48-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-fluorophenyl)thiophene
2.1.2 InChI
InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
2.1.3 InChI Key
PURJRGMZIKXDMW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CSC(=C1)C2=CC=C(C=C2)F
2.2 Other Identifiers
2.2.1 UNII
72TG563TMB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 58861-48-6

2. 2-(4-fluorophenyl)-thiophene

3. 2-(4-fluoro-phenyl)-thiophene

4. 72tg563tmb

5. Canagliflozin Related Impurity 14

6. Mfcd06802535

7. Thiophene, 2-(4-fluorophenyl)-

8. 4-fluorophenylthiphene

9. Ec 611-756-1

10. Unii-72tg563tmb

11. Schembl154088

12. Amy8652

13. Dtxsid60619591

14. Bcp22383

15. Cs-m2131

16. Zinc8764139

17. Bbl103247

18. Geo-03158

19. Stl557057

20. Akos004118865

21. Pb10393

22. Ac-29154

23. Ds-15181

24. Sy042584

25. Db-013907

26. Bb 0223633

27. F0724

28. Ft-0657107

29. P10422

30. 861f486

31. A832044

32. J-505998

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 178.23 g/mol
Molecular Formula C10H7FS
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass178.02524956 g/mol
Monoisotopic Mass178.02524956 g/mol
Topological Polar Surface Area28.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity141
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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