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

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2D Structure
Also known as: 115-93-5, Proban, Cyflee, American cl-26691, American cyanamid cl-26,691, Cl 26691
Molecular Formula
C8H12NO5PS2
Molecular Weight
297.3  g/mol
InChI Key
BSBSDQUZDZXGFN-UHFFFAOYSA-N
FDA UNII
3OOH7Q4333

Cythioate is a member of the organothiophosphate compounds that is used as an insecticide and anthelmintic. It is mainly used in veterinary as a treatment for fleas.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-dimethoxyphosphinothioyloxybenzenesulfonamide
2.1.2 InChI
InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)
2.1.3 InChI Key
BSBSDQUZDZXGFN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N
2.2 Other Identifiers
2.2.1 UNII
3OOH7Q4333
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cyflee

2.3.2 Depositor-Supplied Synonyms

1. 115-93-5

2. Proban

3. Cyflee

4. American Cl-26691

5. American Cyanamid Cl-26,691

6. Cl 26691

7. Cythioate [ban]

8. Cythoate

9. Ent 25,640

10. Nsc 310287

11. O,o-dimethyl O-(4-sulphamoylphenyl) Thiophosphate

12. Ac 26,691

13. American Cl-26,691

14. Brn 2148114

15. O,o-dimethyl O-p-sulfamoylphenyl Phosphorothioate

16. O,o-dimethyl O-4-sulfamoylphenyl Phosphorothioate

17. O,o-dimethyl O-(4-sulfamoylphenyl) Phosphorothioate

18. 4-dimethoxyphosphinothioyloxybenzenesulfonamide

19. O-(4-(aminosulfonyl)phenyl) O,o-dimethyl Phosphorothioate

20. Nsc-310287

21. Phosphorothioic Acid, O-[4-(aminosulfonyl)phenyl] O,o-dimethyl Ester

22. 3ooh7q4333

23. Cythioate (ban)

24. Benzenesulfonamide, P-hydroxy-, O-ester With O,o-dimethyl Phosphorothioate

25. Ncgc00182551-01

26. Phosphorothioic Acid, O-(4-(aminosulfonyl)phenyl) O,o-dimethyl Ester

27. Phosphorothioic Acid, O,o-dimethyl Ester, O-ester With P-hydroxybenzenesulfonamide

28. Proban (van)

29. Caswell No. 272b

30. Einecs 204-115-9

31. Epa Pesticide Chemical Code 059501

32. Unii-3ooh7q4333

33. Ai3-25640

34. O,o-dimethyl O-4-sulphamoylphenyl Phosphorothioate

35. O,o-dimethyl-o-(p-sulfamoylphenyl)-phosphorothioate

36. Proban (tn)

37. Cythioate [mi]

38. Cythioate [mart.]

39. Dsstox_cid_21828

40. Dsstox_rid_79854

41. Dsstox_gsid_41828

42. Schembl118958

43. Cythioate [green Book]

44. Chembl2104588

45. Dtxsid8041828

46. O,o-dimethyl O-(4-(aminosulfonyl)phenyl) Phosphorothioate

47. Zinc1569224

48. Tox21_113080

49. Nsc310287

50. O,o-dimethyl Phosphorothioate O-ester With P-hydroxybenzenesulfonamide

51. Db11392

52. Wln: Zswr Dops & O1 & O1

53. Cas-115-93-5

54. Db-041294

55. Ft-0603143

56. Cythioate, Pestanal(r), Analytical Standard

57. D07768

58. 115c935

59. Sr-01000945023

60. O,o-dimethyl O-(4-sulfamoyl Phenyl)phosphorothioate

61. Q5201320

62. Sr-01000945023-1

63. O-[4-(aminosulfonyl)phenyl] O,o-dimethyl Thiophosphate #

64. Benzenesulfonamide, O-ester With O,o-dimethyl Phosphorothioate

65. Phosphorothioic Acid,o-dimethyl Ester, O-ester With P-hydroxybenzenesulfonamide

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 297.3 g/mol
Molecular Formula C8H12NO5PS2
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass296.98945183 g/mol
Monoisotopic Mass296.98945183 g/mol
Topological Polar Surface Area128 Ų
Heavy Atom Count17
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Insecticides

Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)