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    Cythioate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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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.)