CAS 1134-94-7

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Also known as: 1134-94-7, 2-aminophenyl phenyl sulfide, 2-phenylsulfanylaniline, 2-amino diphenyl sulfide, Benzenamine, 2-(phenylthio)-, 2-phenylthioaniline

Molecular Formula

C₁₂H₁₁NS

Molecular Weight

201.29 g/mol

InChI Key

DGBISJKLNVVJGD-UHFFFAOYSA-N

1 2D Structure

CAS 1134-94-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-phenylsulfanylaniline

2.1.2 InChI

InChI=1S/C12H11NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2

2.1.3 InChI Key

DGBISJKLNVVJGD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1134-94-7

2. 2-aminophenyl Phenyl Sulfide

3. 2-phenylsulfanylaniline

4. 2-amino Diphenyl Sulfide

5. Benzenamine, 2-(phenylthio)-

6. 2-phenylthioaniline

7. 2-(phenylsulfanyl)aniline

8. 2-aminodiphenyl Sulfide

9. 2-aminodiphenyl Sulphide

10. 2-aminodiphenylsulfide

11. 2-(phenylsulfanyl)phenylamine

12. Nsc633006

13. 2-amino Diphenylsulfide

14. 2nh2ph-s-ph

15. 2-phenylsulfanylphenylamine

16. 2-(phenylsulfanyl) Aniline

17. Ec 413-030-8

18. 2-phenylsulfanyl-phenylamine

19. Schembl11546

20. Dtxsid60327124

21. Zinc247941

22. Mfcd00190139

23. Stl420634

24. Akos000120471

25. Ccg-295906

26. Cs-w015550

27. Sb77810

28. Ac-11309

29. Bs-14337

30. 2-(phenylthio)aniline, >=98.0% (gc)

31. Db-041170

32. Am20020223

33. Ft-0610998

34. Ft-0691285

35. A25078

36. F20372

37. Benzenamine,2-(phenylthio)-,hydrochloride(1:1)

38. J-508041

39. Z1250100754

40. O-(phenylthio)aniline;2-aminophenyl Phenyl Sulfide;2-aminodiphenyl Sulfide;2-aminodiphenyl Sulphide

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁NS
Molecular Weight	201.29 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	201.06122053 g/mol
Monoisotopic Mass	201.06122053 g/mol
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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