CAS 5424-47-5

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Also known as: 5424-47-5, 3-(dimethylamino)-1-(2-thienyl)-1-propanone hydrochloride, 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride, 1-propanone, 3-(dimethylamino)-1-(2-thienyl)-, hydrochloride, 2-[3-(dimethylamino)propionyl]thiophene hydrochloride, 3-dimethylamino-1-(2-thienyl)-1-propanone hcl

Molecular Formula

C₉H₁₄ClNOS

Molecular Weight

219.73 g/mol

InChI Key

HPVHJPMLORARSR-UHFFFAOYSA-N

1 2D Structure

CAS 5424-47-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride

2.1.2 InChI

InChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H

2.1.3 InChI Key

HPVHJPMLORARSR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCC(=O)C1=CC=CS1.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5424-47-5

2. 3-(dimethylamino)-1-(2-thienyl)-1-propanone Hydrochloride

3. 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride

4. 1-propanone, 3-(dimethylamino)-1-(2-thienyl)-, Hydrochloride

5. 2-[3-(dimethylamino)propionyl]thiophene Hydrochloride

6. 3-dimethylamino-1-(2-thienyl)-1-propanone Hcl

7. 3-dimethylamino-1-(2-thienyl)-1-propanone Hydrochloride

8. 2-thienyl-2-dimethylaminoethyl Ketone Hcl

9. 3-(dimethylamino)-1-(2-thienyl)-1-propanone, Hcl

10. Mfcd00126349

11. Bim-0008383.p001

12. Cambridge Id 5927860

13. Schembl3303

14. 3-dimethylamino-1-(2-thienyl)propan-1-one Hydrochloride

15. Amy8711

16. Dtxsid50386942

17. Bcp08868

18. Nsc12221

19. Nsc 12221

20. Nsc-12221

21. Akos015964738

22. Ac-1548

23. Cs-w010467

24. Js-3003

25. Sy004008

26. D4011

27. Ft-0759548

28. 424d475

29. 2-[3-(dimethylamino)propionyl]thiophenehydrochloride

30. 2-thienyl 2-dimethylaminoethyl Ketone Hydrochloride

31. 2-thienyl-2-dimethylaminoethyl Ketone Hydrochloride

32. 3-(dimethylamino)-1-(2-thienyl)-1-propanone, Hc

33. 3-(dimethylamino)-1-(2-thienyl)-1-propanone Hcl

34. 3-dimethylamino-1-(2-thienyl)-propan-1-one Hydrochloride

35. 3-dimethylamino-1-thiophen-2-yl-propan-1-one Hydrochloride

36. 1-(n,n-dimethylamino)-3-(2-thienyl)-propan-3-one Hydrochloride

37. 3-(dimethylamino)-1-(thiophen-2-yl) Propan-1-one Hydrochloride

38. 3-(n, N-dimethylamino)-1-(2-thienyl) Propan-1-one Hydrochloride

39. 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one--hydrogen Chloride (1/1)

2.3 Create Date

2005-07-29

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄ClNOS
Molecular Weight	219.73 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	219.0484629 g/mol
Monoisotopic Mass	219.0484629 g/mol
Topological Polar Surface Area	48.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159
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	2