CAS 132335-44-5

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Chemistry

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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 Formula	C₉H₁₅NOS
Molecular Weight	185.29 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	185.08743528 g/mol
Monoisotopic Mass	185.08743528 g/mol
Topological Polar Surface Area	51.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1