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Chemistry

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Also known as: 15088-78-5, 2-phenylacetic dithioperoxyanhydride, Bis(phenylacetyl) disulfide, Phenylacetyl disulphide, Bis(phenylacetyl) disulphide, S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate
Molecular Formula
C16H14O2S2
Molecular Weight
302.4  g/mol
InChI Key
IXGZXXBJSZISOO-UHFFFAOYSA-N

Phenylacetyl Disulfide
1 2D Structure

Phenylacetyl Disulfide

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 Weight 302.4 g/mol
Molecular Formula C16H14O2S2
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass302.04352203 g/mol
Monoisotopic Mass302.04352203 g/mol
Topological Polar Surface Area84.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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SUBURB,ASHOKPURAM SCHOOL RD,"},{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q4","strtotime":1667413800,"product":"PHENYLACETYL DISULFIDE","address":"NATCO HOUSE, ROAD NO.2,,BANJARA H ILLS,","city":"HYDERABAD,TELANGANA","supplier":"EMP BIOTECH GMBH","supplierCountry":"GERMANY","foreign_port":"NA","customer":"NATCO PHARMA","customerCountry":"INDIA","quantity":"0.50","actualQuantity":"0.5","unit":"KGS","unitRateFc":"2640","totalValueFC":"1518.1","currency":"EUR","unitRateINR":"247800","date":"03-Nov-2022","totalValueINR":"123900","totalValueInUsd":"1518.1","indian_port":"HYDERABAD AIR","hs_no":"29163990","bill_no":"3144885","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"NATCO HOUSE, ROAD NO.2,,BANJARA H ILLS,"},{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q3","strtotime":1695839400,"product":"2023052501 PHENYLACETYL DISULFIDE","address":"62\/A2,1ST STAGE,YESHVANTHPUR INDL.","city":"BANGALORE,KARNATAKA","supplier":"SHANGHAI LIZHUO PHARMACEUTICAL TECHNOLOGY CO., LTD","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"LEONID CHEMICALS PRIVATE LIMITED","customerCountry":"INDIA","quantity":"6.00","actualQuantity":"6","unit":"KGS","unitRateFc":"660","totalValueFC":"4009.7","currency":"USD","unitRateINR":"55473","date":"28-Sep-2023","totalValueINR":"332838","totalValueInUsd":"4009.7","indian_port":"Bangalore Air","hs_no":"29309099","bill_no":"8053598","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":". NO. 16 FLOOR, T2 BUILDING, 166 MINHONG RD., MINHANG DISTRICT, SHANGHAI, CHINA, China","customerAddress":"62\/A2,1ST STAGE,YESHVANTHPUR INDL."}]
25-Feb-2021
28-Sep-2023
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