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2D Structure
Also known as: 1073-72-9, 4-(methylmercapto)phenol, Phenol, 4-(methylthio)-, 4-hydroxythioanisole, P-(methylthio)phenol, 4-methylmercaptophenol
Molecular Formula
C7H8OS
Molecular Weight
140.20  g/mol
InChI Key
QASBCTGZKABPKX-UHFFFAOYSA-N
FDA UNII
9T83QI0Z1L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-methylsulfanylphenol
2.1.2 InChI
InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
2.1.3 InChI Key
QASBCTGZKABPKX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CSC1=CC=C(C=C1)O
2.2 Other Identifiers
2.2.1 UNII
9T83QI0Z1L
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-(methylmercapto)phenol

2. 4-(methylthio)phenol, Sodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 1073-72-9

2. 4-(methylmercapto)phenol

3. Phenol, 4-(methylthio)-

4. 4-hydroxythioanisole

5. P-(methylthio)phenol

6. 4-methylmercaptophenol

7. 4-methylsulfanylphenol

8. P-hydroxythioanisole

9. Phenol, P-(methylthio)-

10. 4-(methylsulfanyl)phenol

11. P-hydroxyphenyl Methyl Sulfide

12. 4-hydroxyphenyl Methyl Sulfide

13. Nsc 75840

14. P-methyl Thiophenol

15. Methyl 4-hydroxyphenyl Sulfide

16. Phenol, P-methylmercapto-

17. 9t83qi0z1l

18. Nsc-75840

19. Ccris 5837

20. Einecs 214-031-4

21. Brn 2041507

22. Unii-9t83qi0z1l

23. Ai3-28073

24. Nsc75840

25. 4-(methylthio) Phenol

26. 4-methylmercapto-phenol

27. 4-methylsulfanyl Phenol

28. 4-methylsulfanyl-phenol

29. Para-(methylthio)phenol

30. 4-(methylsulfanyl)phenol #

31. Schembl275952

32. 4-(methylsulfenyl)phenol

33. Dtxsid3051547

34. Methylmercaptophenol, 4-

35. 4-(methylmercapto)phenol, 98%

36. Chebi:38862

37. Zinc404129

38. Bbl104214

39. Mfcd00002351

40. Stl388046

41. Akos000121186

42. Cs-w001072

43. Ac-10935

44. Bp-12495

45. Ms-20081

46. Db-040752

47. Ft-0616822

48. M0441

49. H10762

50. J-513779

51. Q27118001

52. 1-hydroxy,4-methylthio-benzene (4-methylthio-phenol)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 140.20 g/mol
Molecular Formula C7H8OS
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass140.02958605 g/mol
Monoisotopic Mass140.02958605 g/mol
Topological Polar Surface Area45.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity77
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1