CAS 5402-55-1

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Also known as: 5402-55-1, Thiophene-2-ethanol, 2-(2-thienyl)ethanol, 2-(thiophen-2-yl)ethanol, 2-thiophen-2-ylethanol, 2-(2-hydroxyethyl)thiophene

Molecular Formula

C₆H₈OS

Molecular Weight

128.19 g/mol

InChI Key

VMJOFTHFJMLIKL-UHFFFAOYSA-N

1 2D Structure

CAS 5402-55-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-thiophen-2-ylethanol

2.1.2 InChI

InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2

2.1.3 InChI Key

VMJOFTHFJMLIKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CSC(=C1)CCO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5402-55-1

2. Thiophene-2-ethanol

3. 2-(2-thienyl)ethanol

4. 2-(thiophen-2-yl)ethanol

5. 2-thiophen-2-ylethanol

6. 2-(2-hydroxyethyl)thiophene

7. 2-thiophenethanol

8. 2-(thiophen-2-yl)ethan-1-ol

9. Ethanol, 2-(2-thienyl)-

10. Mfcd00005462

11. Thiophen-2-ethanol

12. 2-(2-thienyl)-ethanol

13. Thiopheneethanol

14. Thiophene Ethanol

15. Nsc5136

16. Nsc 5136

17. 2-thiophene-ethanol

18. Einecs 226-452-0

19. 2-thiophen-2-yl-ethanol

20. 2-thiopheneethanol, 98%

21. Ec 226-452-0

22. 2-(thiophen-2-yl) Ethanol

23. 2-(2-hydroxyethyl)thiofuran

24. Bidd:gt0601

25. Schembl150608

26. Dtxsid2063840

27. 2-(thiophen-2-yl)ethyl Alcohol

28. Vmjofthfjmlikl-uhfffaoysa-

29. Zinc391955

30. Nsc-5136

31. Akos003382008

32. Ac-6274

33. Am82007

34. Cs-w020421

35. Pb32074

36. Ps-5774

37. Sy001832

38. Db-015975

39. Ft-0608522

40. T1021

41. P10012

42. 2-thiopheneethanol, Technical, >=95.0% (gc)

43. A829916

44. Q-102734

45. Q-200140

46. F0001-1418

47. Z1245735295

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₈OS
Molecular Weight	128.19 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	128.02958605 g/mol
Monoisotopic Mass	128.02958605 g/mol
Topological Polar Surface Area	48.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	65.5
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