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    Chemistry

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    Also known as: 19881-18-6, 4-isothiocyanato-4'-nitrodiphenyl ether, Cantrodifene, Lopatol, Benzene, 1-isothiocyanato-4-(4-nitrophenoxy)-, 1-isothiocyanato-4-(4-nitrophenoxy)benzene
    Molecular Formula
    C13H8N2O3S
    Molecular Weight
    272.28  g/mol
    InChI Key
    SVMGVZLUIWGYPH-UHFFFAOYSA-N
    FDA UNII
    P4IE5B6D6U
    Nitroscanate
    1 2D Structure

    Nitroscanate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-isothiocyanato-4-(4-nitrophenoxy)benzene
    2.1.2 InChI
    InChI=1S/C13H8N2O3S/c16-15(17)11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14-9-19/h1-8H
    2.1.3 InChI Key
    SVMGVZLUIWGYPH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1N=C=S)OC2=CC=C(C=C2)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    P4IE5B6D6U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-nitro-4'-isothiocyanodiphenyl Ether

    2. Gs 23654

    3. Lapatol

    2.3.2 Depositor-Supplied Synonyms

    1. 19881-18-6

    2. 4-isothiocyanato-4'-nitrodiphenyl Ether

    3. Cantrodifene

    4. Lopatol

    5. Benzene, 1-isothiocyanato-4-(4-nitrophenoxy)-

    6. 1-isothiocyanato-4-(4-nitrophenoxy)benzene

    7. P-(p-nitrophenoxy)phenyl Isothiocyanate

    8. Cga-23654

    9. P4ie5b6d6u

    10. Ncgc00182049-01

    11. Nitroscanato

    12. Nitroscanatum

    13. Nitroscanatum [inn-latin]

    14. Nitroscanato [inn-spanish]

    15. Ccris 7198

    16. Einecs 243-393-6

    17. Cga 23654

    18. Unii-p4ie5b6d6u

    19. 4-(4-nitrophenoxy)phenyl Isothiocyanat

    20. Brn 0888706

    21. Gs 23654

    22. Nitroscanate [usan:inn:ban]

    23. Isothiocyanic Acid, P-(p-nitrophenoxy)phenyl Ester

    24. Nitroscanate [mi]

    25. Benzene,1-isothiocyanato-4-(4-nitrophenoxy)-

    26. Nitroscanate (usan/inn)

    27. Nitroscanate [inn]

    28. Nitroscanate [usan]

    29. Dsstox_cid_28698

    30. Dsstox_rid_82967

    31. Dsstox_gsid_48772

    32. Nitroscanate [mart.]

    33. Schembl381451

    34. Chembl304432

    35. Zinc1821

    36. Dtxsid9048772

    37. Tox21_113247

    38. Mfcd00060545

    39. Akos030236754

    40. Ncgc00182049-02

    41. 4-(4-nitrophenyloxy)-phenylisothiocyanate

    42. 4-isothiocyanato-4\'-nitrodiphenyl Ether

    43. 1-(4-isothiocyanatophenoxy)-4-nitrobenzene

    44. Cas-19881-18-6

    45. Db-045016

    46. Ft-0608316

    47. 1-(4-isothiocyanatophenoxy)-4-nitrobenzene #

    48. D05193

    49. Sr-01000944851

    50. 4-isothiocyanato-4'-nitrodiphenyl Ether, Aldrichcpr

    51. J-012840

    52. Q7041503

    53. Sr-01000944851-1

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 272.28 g/mol
    Molecular Formula C13H8N2O3S
    XLogP35.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass272.02556330 g/mol
    Monoisotopic Mass272.02556330 g/mol
    Topological Polar Surface Area99.5 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity349
    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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    [{"dataSource":"API Export","activeIngredients":"NITROSCANATE","year":"2021","qtr":"Q1","strtotime":1611253800,"product":"NITROSCANATE BATCH NOEDA000929A MFG DT NOV 2019 EXP DTOCT 2024","address":"3RD FLOOR, NO.301, DOSTI PINNACLE PLOT NO.E-7,ROAD NO. 22,WAGLE ESTATE","city":"DIST.THANE WEST, M.S.","supplier":"ALIVIRA ANIMAL HEALTH","supplierCountry":"INDIA","foreign_port":"LONDON - HEATHROW","customer":"M\/S ,","customerCountry":"UNITED KINGDOM","quantity":"5.00","actualQuantity":"5","unit":"KGS","unitRateFc":"1439.1","totalValueFC":"7285.2","currency":"USD","unitRateINR":106562.78999999999,"date":"22-Jan-2021","totalValueINR":"532813.95","totalValueInUsd":"7285.2","indian_port":"BOMBAY AIR","hs_no":"29335990","bill_no":"8099851","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED KINGDOM","selfForZScoreResived":"Pharma Grade","supplierPort":"BOMBAY AIR","supplierAddress":"3RD FLOOR, NO.301, DOSTI PINNACLE PLOT NO.E-7,ROAD NO. 22,WAGLE ESTATE, DIST.THANE WEST, M.S.","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2022","qtr":"Q1","strtotime":1643394600,"product":"NITROSCANATE[EXP INV NO.1612101642 DT. 2","address":"3RD FLOOR NO 301 DOSTI PINNACLE,PL OT NO E-7 ROAD NO 22 WAGLE ESTATE","city":"THANE WEST,MAHARASHTRA","supplier":"ALIVIRA ANIMAL HEALTH","supplierCountry":"INDIA","foreign_port":"ZURICH","customer":"M\/S.","customerCountry":"SWITZERLAND","quantity":"500.00","actualQuantity":"500","unit":"KGS","unitRateFc":"195","totalValueFC":"94424.4","currency":"USD","unitRateINR":14068,"date":"29-Jan-2022","totalValueINR":"7034000","totalValueInUsd":"94424.4","indian_port":"BOMBAY AIR","hs_no":"29420090","bill_no":"7830673","productDescription":"API","marketType":"REGULATED MARKET","country":"SWITZERLAND","selfForZScoreResived":"Pharma Grade","supplierPort":"BOMBAY AIR","supplierAddress":"3RD FLOOR NO 301 DOSTI PINNACLE,PL OT NO E-7 ROAD NO 22 WAGLE ESTATE, THANE WEST,MAHARASHTRA","customerAddress":""}]
    22-Jan-2021
    29-Jan-2022
    KGS
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