1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate

2.1.2 InChI

InChI=1S/C16H14O2S2/c17-15(11-13-7-3-1-4-8-13)19-20-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2

2.1.3 InChI Key

IXGZXXBJSZISOO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CC(=O)SSC(=O)CC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 15088-78-5

2. 2-phenylacetic Dithioperoxyanhydride

3. Bis(phenylacetyl) Disulfide

4. Phenylacetyl Disulphide

5. Bis(phenylacetyl) Disulphide

6. S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate

7. Bis(phenylacetyl) Persulfide

8. Disulfide, Bis(phenylacetyl)

9. Cbdive_012388

10. Phenylacetyl Disulfide, 96%

11. Schembl200592

12. Chembl4646844

13. Zinc4352620

14. Mfcd00513572

15. Akos015889648

16. Ds-6359

17. Ac-26787

18. Db-022679

19. B3623

20. Cs-0044811

21. Ft-0601957

22. D70385

23. 088p785

24. A809085

25. J-008754

2.3 Create Date

2005-09-07

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄O₂S₂
Molecular Weight	302.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	302.04352203 g/mol
Monoisotopic Mass	302.04352203 g/mol
Topological Polar Surface Area	84.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	286
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

Phenylacetyl Disulfide

Phenylacetyl Disulfide

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