Please Wait
Applying Filters...
Menu
$ API Ref.Price (USD/KG) : 313Xls
2D Structure
Also known as: 15570-12-4, 3-methoxythiophenol, Benzenethiol, 3-methoxy-, 3-methoxybenzenthiol, M-methoxythiophenol, 3-mercaptoanisole
Molecular Formula
C7H8OS
Molecular Weight
140.20  g/mol
InChI Key
QMVAZEHZOPDGHA-UHFFFAOYSA-N
FDA UNII
GU3GP933SP

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methoxybenzenethiol
2.1.2 InChI
InChI=1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3
2.1.3 InChI Key
QMVAZEHZOPDGHA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=CC=C1)S
2.2 Other Identifiers
2.2.1 UNII
GU3GP933SP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 15570-12-4

2. 3-methoxythiophenol

3. Benzenethiol, 3-methoxy-

4. 3-methoxybenzenthiol

5. M-methoxythiophenol

6. 3-mercaptoanisole

7. M-methoxybenzenethiol

8. Meta-methoxybenzenethiol

9. 3-methoxy-benzenethiol

10. 3-methoxy Thiophenol

11. Gu3gp933sp

12. M-methoxybenzenethiol; M-methoxythiophenol

13. Benzenethiol, M-methoxy- (6ci,7ci,8ci)

14. 3-methoxybenzene-1-thiol

15. Einecs 239-617-7

16. 3-methoxy-thiophenol

17. 3-methoxy -thiophenol

18. 3-methoxy Thio Phenol

19. 3-methyloxy-benzenethiol

20. M-methoxy Phenyl Mercaptan

21. Unii-gu3gp933sp

22. 3-methoxythiophenol, 98%

23. Schembl6767

24. (m-methoxyphenyl)thiol

25. Chembl122066

26. Benzenethiol, M-methoxy-

27. Dtxsid3074652

28. Qmvazehzopdgha-uhfffaoysa-

29. Zinc388351

30. Amy21950

31. Str02060

32. Mfcd00004841

33. Akos005257798

34. Ps-3033

35. Bp-10733

36. Db-043282

37. Cs-0008476

38. Ft-0616022

39. Ft-0616023

40. M1194

41. En300-26755

42. D78387

43. J-512783

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 140.20 g/mol
Molecular Formula C7H8OS
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass140.02958605 g/mol
Monoisotopic Mass140.02958605 g/mol
Topological Polar Surface Area10.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1