CAS 6973-09-7

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4 End Use APIs
31 Related Intermediates

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1 Intermediates

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Chemistry

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Also known as: 6973-09-7, 3-amino-6-methylbenzenesulfonamide, 2-methyl-5-aminobenzene sulfonamide, Benzenesulfonamide, 5-amino-2-methyl-, 5-amino-2-methylbenzene-1-sulfonamide, Mfcd06681071

Molecular Formula

C₇H₁₀N₂O₂S

Molecular Weight

186.23 g/mol

InChI Key

KTPBKMYOIFHJMI-UHFFFAOYSA-N

1 2D Structure

CAS 6973-09-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-amino-2-methylbenzenesulfonamide

2.1.2 InChI

InChI=1S/C7H10N2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)

2.1.3 InChI Key

KTPBKMYOIFHJMI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)N)S(=O)(=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6973-09-7

2. 3-amino-6-methylbenzenesulfonamide

3. 2-methyl-5-aminobenzene Sulfonamide

4. Benzenesulfonamide, 5-amino-2-methyl-

5. 5-amino-2-methylbenzene-1-sulfonamide

6. Mfcd06681071

7. 5-amino-2-methyl-benzenesulfonamide

8. Nsc36969

9. P-aminotoluol-sulfonamid

10. Schembl342932

11. 3-amino-6-methylbenzenesulfonam

12. Amino-2-methylbenzenesulfonamide

13. Dtxsid40284367

14. 3-(aminosulfonyl)-4-methylaniline

15. 2-methyl-5-amino Benzenesulfonamide

16. 3-amino-6-methyl-benzenesulfonamide

17. 5-amino-2-methyl Benzenesulfonamide

18. Bcp23176

19. Cs-b0767

20. Zinc3888713

21. Nsc-36969

22. Stl363259

23. Akos000123046

24. 3-aminosulfonyl-4-methylaniline

25. Pb18742

26. Ac-24855

27. As-14160

28. Sy003683

29. 5-amino-2-methylbenzene-sulfonamide

30. Db-012230

31. Am20061065

32. Ft-0658813

33. En300-12407

34. 5-amino-2-methylbenzenesulfonamide, Aldrichcpr

35. 973a097

36. A836624

37. A1-01694

38. Q-103465

39. Z89270697

40. F9995-0234

41. 5-amino-2-methyl-benzenesulfonamide;3-amino-6-methylbenzenesulfonamide

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₀N₂O₂S
Molecular Weight	186.23 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	186.04629874 g/mol
Monoisotopic Mass	186.04629874 g/mol
Topological Polar Surface Area	94.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	245
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