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CAS 132335-44-5 manufacturers and suppliers on PharmaCompass

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CAS 132335-44-5
Also known as: 132335-44-5, (s)-3-(dimethylamino)-1-(2-thienyl)-1-propanol, (1s)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol, S-(-)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine, (1s)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol, (s)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine
Molecular Formula
C9H15NOS
Molecular Weight
185.29  g/mol
InChI Key
XWCNSHMHUZCRLN-QMMMGPOBSA-N

1 2D Structure

CAS 132335-44-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol
2.1.2 InChI
InChI=1S/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1
2.1.3 InChI Key
XWCNSHMHUZCRLN-QMMMGPOBSA-N
2.1.4 Canonical SMILES
CN(C)CCC(C1=CC=CS1)O
2.1.5 Isomeric SMILES
CN(C)CC[C@@H](C1=CC=CS1)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 132335-44-5

2. (s)-3-(dimethylamino)-1-(2-thienyl)-1-propanol

3. (1s)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol

4. S-(-)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine

5. (1s)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol

6. (s)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine

7. (1s)-3-(dimethylamino)-1-(2-thienyl)propan-1-ol

8. (s)-1-beta-hydroxy-1-(2-thienyl)-3-dimethylaminopropane

9. Mfcd07782107

10. Ec 603-565-7

11. Schembl522925

12. S-(+)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)-1-propylamide

13. Chembl4551881

14. Dtxsid10433380

15. Act07227

16. Amy22671

17. Ac-367

18. Zinc21297816

19. Akos006285188

20. Akos015850814

21. Cs-w023104

22. Ds-1075

23. D4010

24. En300-91510

25. A18158

26. (s)-3-dimethylamino-1-(2-thienyl)-1-propanol

27. (s)-3-(dimethylamino)-1-(thienyl)-propan-1-ol

28. 3-hydroxy-n,n-dimethyl-3-(2-thienyl)propanamine

29. 335d445

30. (s)-1-(2-thienyl)-3-(dimethylamino)-1-propanol

31. J-502318

32. (s)-2-[3-(dimethylamino)-1-hydroxypropyl]thiophene

33. (s)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol

34. (s)-1-?-hydroxy-1-(2-thienyl)-3-dimethylaminopropane

35. (s)-3-(dimethylamino)-1-(thiophen-2-yl) Propan-1-ol

36. (s)-(-)-n,n-dimethyl-3-(2-thienyl)-3-hydroxypropanamine

37. (s)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)-1-propanamine

38. (s)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)-1-propylamine

39. S)-(-)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine

40. (s)-1- Beta -hydroxy-1-(2-thienyl)-3-dimethylaminopropane

41. (d)-(-)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)-propanamine

42. 2-thiophenemethanol, Alpha-[2-(dimethylamino)ethyl]-, (alphas)-

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 185.29 g/mol
Molecular Formula C9H15NOS
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass185.08743528 g/mol
Monoisotopic Mass185.08743528 g/mol
Topological Polar Surface Area51.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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