3-Methoxybenzenethiol

Synopsis, Chemistry

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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

3-Methoxybenzenethiol

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 Formula	C₇H₈OS
Molecular Weight	140.20 g/mol
XLogP3	2.5
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	10.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
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