CAS 63547-22-8 manufacturers and suppliers on PharmaCompass

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Also known as: 63547-22-8, 2-[(diphenylmethyl)thio]acetic acid, Benzhydrylsulfanyl acetic acid, (benzhydrylthio)acetic acid, 2-benzhydrylsulfanylacetic acid, Acetic acid, [(diphenylmethyl)thio]-
Molecular Formula
C15H14O2S
Molecular Weight
258.3  g/mol
InChI Key
HTHFEDOFDBZPRX-UHFFFAOYSA-N
FDA UNII
EGH8L3D5QF

CAS 63547-22-8
1 2D Structure

CAS 63547-22-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-benzhydrylsulfanylacetic acid
2.1.2 InChI
InChI=1S/C15H14O2S/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
2.1.3 InChI Key
HTHFEDOFDBZPRX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)O
2.2 Other Identifiers
2.2.1 UNII
EGH8L3D5QF
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 63547-22-8

2. 2-[(diphenylmethyl)thio]acetic Acid

3. Benzhydrylsulfanyl Acetic Acid

4. (benzhydrylthio)acetic Acid

5. 2-benzhydrylsulfanylacetic Acid

6. Acetic Acid, [(diphenylmethyl)thio]-

7. (benzhydrylsulfanyl)acetic Acid

8. Benzhydryl Thioacetic Acid

9. 2-((diphenylmethyl)thio)acetic Acid

10. Egh8l3d5qf

11. 2-[(diphenylmethyl)sulfanyl]acetic Acid

12. Mfcd05262040

13. Acetic Acid, ((diphenylmethyl)thio)-

14. 2-((diphenylmethyl)sulfanyl)acetic Acid

15. 2-[(diphenylmethyl)thio]aceticacid-d10

16. Acetic Acid, 2-((diphenylmethyl)thio)-

17. 2-(benzhydrylthio)aceticacid

18. Unii-egh8l3d5qf

19. (diphenylmethylthio)acetic Acid

20. Schembl2577670

21. Dtxsid30366464

22. Hthfedofdbzprx-uhfffaoysa-n

23. Hms1766c11

24. Amy15077

25. Akos000116816

26. 2-[(diphenylmethyl) Thio] Acetic Acid

27. Ac-8094

28. Af-0005

29. 2-[(diphenylmethyl)sulfenyl]acetic Acid

30. Sy018115

31. B4175

32. Cs-0008363

33. Ft-0640895

34. En300-08898

35. A834410

36. Sr-01000050233

37. Sr-01000050233-1

38. Z19691345

2.4 Create Date
2005-07-14
3 Chemical and Physical Properties
Molecular Weight 258.3 g/mol
Molecular Formula C15H14O2S
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area62.6
Heavy Atom Count18
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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