CAS 115473-15-9

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Also known as: 115473-15-9, 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine-2(4h)-one hydrochloride, 2h,4h,5h,6h,7h,7ah-thieno[3,2-c]pyridin-2-one hydrochloride, 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]pyridin-2-one;hydrochloride, Thieno[3,2-c]pyridin-2(4h)-one, 5,6,7,7a-tetrahydro-, hydrochloride, Mfcd11111130

Molecular Formula

C₇H₁₀ClNOS

Molecular Weight

191.68 g/mol

InChI Key

PUQKTVAKLPDUAW-UHFFFAOYSA-N

1 2D Structure

CAS 115473-15-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one;hydrochloride

2.1.2 InChI

InChI=1S/C7H9NOS.ClH/c9-7-3-5-4-8-2-1-6(5)10-7;/h3,6,8H,1-2,4H2;1H

2.1.3 InChI Key

PUQKTVAKLPDUAW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCC2=CC(=O)SC21.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 115473-15-9

2. 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine-2(4h)-one Hydrochloride

3. 2h,4h,5h,6h,7h,7ah-thieno[3,2-c]pyridin-2-one Hydrochloride

4. 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]pyridin-2-one;hydrochloride

5. Thieno[3,2-c]pyridin-2(4h)-one, 5,6,7,7a-tetrahydro-, Hydrochloride

6. Mfcd11111130

7. 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine-2(4h)-one, Hcl

8. 5,6,7,7a-tetrahydrothieno[3,2-c]pyridinone Hydrochloride

9. 5,6,7,7a-tetrahydrothieno(3,2-c)pyridine-2(4h)-one Hcl

10. 5,6,7,7a-tetrahydrothieno(3,2-c)pyridine-2(4h)-one Hydrochloride

11. 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine-2(4h)-one Hcl

12. 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine-2(4h)-onehydrochloride

13. Thieno[3,2-c]pyridin-2(4h)-one, 5,6,7,7a-tetrahydro-, Hydrochloride (1:1)

14. Schembl24450

15. Dtxsid20634063

16. 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridinone Hydrochloride

17. Act06209

18. Bcp00871

19. Akos005073562

20. Cs-w003775

21. Md-0244

22. Sy005780

23. Db-029033

24. Am20080101

25. Ft-0659981

26. T2984

27. 473t159

28. A1-00018

29. Z1741978100

30. 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]pyridin-2-one Hcl

31. 2h,4h,5h,6h,7h,7ah-thieno[3,2-c]pyridin-2-one Hydrochloride97%

32. 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]-pyridin-2-one Hydrochloride

33. 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]-pyridin-2-one-hydrochloride

34. 5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4h)-onehydrochloride

35. 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin 2(4h)-one Hydrochloride

36. 2-oxo-2, 4, 5, 6, 7, 7a-hexahydro Thieno [3, 2-c] Pyridine Hydrochloride

37. 5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4h)-one--hydrogen Chloride (1/1)

2.3 Create Date

2007-12-06

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₀ClNOS
Molecular Weight	191.68 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	191.0171628 g/mol
Monoisotopic Mass	191.0171628 g/mol
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2