1073-72-9

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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

CAS 1073-72-9

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 Formula	C₇H₈OS
Molecular Weight	140.20 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	140.02958605 g/mol
Monoisotopic Mass	140.02958605 g/mol
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77
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

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