CAS 54903-50-3

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Also known as: 54903-50-3, 4,5,6,7-tetrahydro-thieno[3,2-c]pyridine, 4,5,6,7-tetrahydrothieno(3,2-c)pyridine, Thieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-, Chembl1526, I3akk727fu

Molecular Formula

C₇H₉NS

Molecular Weight

139.22 g/mol

InChI Key

OGUWOLDNYOTRBO-UHFFFAOYSA-N

FDA UNII

I3AKK727FU

1 2D Structure

CAS 54903-50-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2.1.2 InChI

InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2

2.1.3 InChI Key

OGUWOLDNYOTRBO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCC2=C1SC=C2

2.2 Other Identifiers

2.2.1 UNII

I3AKK727FU

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4,5,6,7-tetrahydrothieno(3,2-c)pyridine

2.3.2 Depositor-Supplied Synonyms

1. 54903-50-3

2. 4,5,6,7-tetrahydro-thieno[3,2-c]pyridine

3. 4,5,6,7-tetrahydrothieno(3,2-c)pyridine

4. Thieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-

5. Chembl1526

6. I3akk727fu

7. Pcr-0665

8. Einecs 259-389-2

9. 6,7-dihydro-4h-thieno[3,2-c]pyridine

10. 6,7-dihydro-4h-thieno(3,2-c)pyridine

11. Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-

12. 4h,5h,6h,7h-thieno[3,2-c]pyridine

13. Unii-i3akk727fu

14. Schembl13441

15. Schembl2851182

16. Clopidogrel Thieno Impurity Hcl

17. Dtxsid60203414

18. Pcr0665

19. Albb-022838

20. Zinc2553922

21. Bdbm50227516

22. Mfcd03839944

23. Stl483691

24. Akos005135918

25. Cs-w018311

26. Pb20074

27. Ac-28795

28. Ts-01813

29. 6,7-dihydro-4h-thieno[3,2-c]-pyridine

30. 4,5,6,7-tetrahydrothieno[3,2,c]pyridine

31. A5428

32. Am20090735

33. Ft-0640279

34. T2686

35. 4,5,6,7-tetrahydro Thieno [3,2-c]pyridine

36. 4,5,6,7-tetrahydrothieno (3,2-c) Pyridine

37. 83t417

38. A18893

39. W-105597

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₇H₉NS
Molecular Weight	139.22 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	139.04557046 g/mol
Monoisotopic Mass	139.04557046 g/mol
Topological Polar Surface Area	40.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
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