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Technical details about Thiphenamil, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: Thiphenamil hcl, 548-68-5, Thiphenamil hydrochloride [usan], Tifenamil hydrochloride, 4oq4sp44r2, Thiphen
Molecular Formula
C20H26ClNOS
Molecular Weight
363.9  g/mol
InChI Key
MZWKCFGWAWRHDY-UHFFFAOYSA-N
FDA UNII
4OQ4SP44R2

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride
2.1.2 InChI
InChI=1S/C20H25NOS.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
2.1.3 InChI Key
MZWKCFGWAWRHDY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl
2.2 Other Identifiers
2.2.1 UNII
4OQ4SP44R2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. S-(2-(diethylamino)ethyl)diphenylthioacetate

2. Thiphen

3. Thiphenamil

4. Tifen

5. Tifenamil

6. Trocinate

2.3.2 Depositor-Supplied Synonyms

1. Thiphenamil Hcl

2. 548-68-5

3. Thiphenamil Hydrochloride [usan]

4. Tifenamil Hydrochloride

5. 4oq4sp44r2

6. Thiphen

7. Trocinat

8. Trocinate

9. Tiphen

10. Tifen

11. Trocinate Hydrochloride

12. Thiphenamil Hydrochloride (usan)

13. S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride

14. Einecs 208-955-7

15. Unii-4oq4sp44r2

16. 2-(diethylamino)ethyl Diphenylthioacetate Hydrochloride

17. Beta-diethylaminoethyl Diphenylthioacetate Hydrochloride

18. S-(2-(diethylamino)ethyl) Diphenylthioacetate Hydrochloride

19. Diphenylthiolacetic Acid 2-diethylaminoethyl Ester Hydrochloride

20. 2-diethylaminoethylester Kyseliny Difenylthiooctove Hydrochlorid [czech]

21. Schembl123518

22. Chembl2107552

23. Dtxsid30203284

24. 4-bromomethylbenzoylchloride

25. 2-diethylaminoethylester Kyseliny Difenylthiooctove Hydrochlorid

26. Thiphenamil Hydrochloride [mi]

27. S-(2-(diethylamino)ethyl) Alpha-phenylbenzeneethanethioate Hydrochloride

28. Acetic Acid, Diphenylthio-, S-(2-(diethylamino)ethyl) Ester, Hydrochloride

29. Benzeneethanethioic Acid, Alpha-phenyl-, S-(2-(diethylamino)ethyl) Ester Hydrochloride

30. D06112

31. Q27260300

32. S-(2-(diethylamino)ethyl)diphenylthioacetate Hydrochloride

33. S-[2-(diethylamino)ethyl]alpha-phenylbenzeneethanethioate Hydrochloride

34. Benzeneethanethioic Acid, .alpha.-phenyl-, S-(2-(diethylamino)ethyl) Ester Hydrochloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 363.9 g/mol
Molecular Formula C20H26ClNOS
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass363.1423633 g/mol
Monoisotopic Mass363.1423633 g/mol
Topological Polar Surface Area45.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2