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phenethyl isothiocyanate English (Q7181339)

Item Discussion
chemical compound
edit
Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    instance of
    chemical compound
    0 references
    Q109189047 (Deleted Item)
    1 reference
    inferred from
    Q109189047 (Deleted Item)
    CAS registry number
    2257-09-2
    2 references
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    351346
    language of work or name
    English
    title
    phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    InChIKey
    IZJDOKYDEWTZSO-UHFFFAOYSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    9 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=2257-09-2
    PubChem CID
    16741
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    16741
    language of work or name
    English
    title
    Phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    ChEBI ID
    351346
    mapping relation type English
    exact match English
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    351346
    language of work or name
    English
    title
    phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    InChI
    InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    16741
    language of work or name
    English
    title
    Phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    InChIKey
    IZJDOKYDEWTZSO-UHFFFAOYSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    16741
    language of work or name
    English
    title
    Phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    stated in
    Q98915402 (Deleted Item)
    chemical formula
    C₉H₉NS
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    16741
    language of work or name
    English
    title
    Phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    ChemSpider ID
    15870
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    15870
    language of work or name
    English
    title
    Phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    ChEMBL ID
    CHEMBL151649
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL151649
    language of work or name
    English
    title
    PHENETHYLISOTHIOCYANATE (English)
    retrieved
    12 October 2016
    UNII English
    6U7TFK75KV
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    6U7TFK75KV
    language of work or name
    English
    title
    PHENETHYL ISOTHIOCYANATE (English)
    retrieved
    12 October 2016
    SMILES
    C1=CC=C(C=C1)CCN=C=S
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    16741
    language of work or name
    English
    title
    Phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    ECHA InfoCard ID
    100.017.142
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.017.142
    retrieved
    27 December 2018
    title
    Phenethyl isothiocyanate (English)
    quotation
    CAS no.: 2257-09-2 (English)
    Reaxys registry number English
    2084162
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    351346
    language of work or name
    English
    title
    phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    mass
    163.046 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    16741
    language of work or name
    English
    title
    Phenethyl isothiocyanate (English)
    retrieved
    12 October 2016
    EC number
    218-855-5
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    6U7TFK75KV
    language of work or name
    English
    title
    PHENETHYL ISOTHIOCYANATE (English)
    retrieved
    12 October 2016
    DSSTox substance ID English
    DTXSID5021120
    1 reference
    stated in
    Q28061352 (Deleted Item)
    IEDB Epitope ID English
    138724
    1 reference
    stated in
    Immune Epitope Database and Analysis Resource English
    IEDB Epitope ID English
    138724
    retrieved
    1 March 2022
    MeSH
    C058305
    named as
    phenethyl isothiocyanate
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C058305
    retrieved
    14 March 2018
    subject has role
    Q187661 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C058305
    retrieved
    15 March 2018
    Q427492 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C058305
    retrieved
    15 March 2018
    anticarcinogens English
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C058305
    retrieved
    15 March 2018
    SPLASH English
    splash10-0006-9300000000-dce10ef46bd36fa88995
    0 references
    splash10-0006-9400000000-89e2793dff2133a5d196
    0 references
    MassBank accession ID English
    JP000925
    0 references
    CosIng number English
    40603
    1 reference
    stated in
    Q26255597 (Deleted Item)
    CosIng number English
    40603
    retrieved
    28 December 2019
    title
    PHENETHYL ISOTHIOCYANATE (English)
    quotation
    CAS no.: 2257-09-2 (English)
    NSC number English
    87868
    0 references
    Microsoft Academic ID
    2780740852
    0 references
    2908746914
    0 references
    AICS Chemical ID
    7414
    0 references
    DSSTOX compound identifier English
    DTXCID901120
    0 references
    found in taxon
    Q146212 (Deleted Item)
    1 reference
    stated in
    Q104253403 (Deleted Item)
    Q164056 (Deleted Item)
    1 reference
    stated in
    Q104375981 (Deleted Item)
    Q164143 (Deleted Item)
    1 reference
    stated in
    Q104375607 (Deleted Item)
    Q177932 (Deleted Item)
    1 reference
    stated in
    Q104383539 (Deleted Item)
    Q21872049 (Deleted Item)
    1 reference
    stated in
    Q104383539 (Deleted Item)
    Brassica carinata English
    1 reference
    stated in
    Q104383539 (Deleted Item)
    Q150452 (Deleted Item)
    1 reference
    stated in
    Q52541450 (Deleted Item)
    Q49855 (Deleted Item)
    1 reference
    stated in
    Q105123242 (Deleted Item)
    Brassica rapa
    1 reference
    stated in
    Q104383539 (Deleted Item)
    FL number English
    12.193
    1 reference
    quotation
    CAS no.: 2257-09-2 (English)
    stated in
    Q105044213 (Deleted Item)
    retrieved
    23 Ocak 2021
    FL number English
    12.193
    Freebase ID
    /m/0j42r8w
    0 references
    JECFA number English
    1563
    1 reference
    stated in
    Q47128405 (Deleted Item)
    retrieved
    13 Mayıs 2021
    DrugBank ID English
    12695
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    12695
    retrieved
    6 July 2021
    quotation
    CAS no.: 2257-09-2 (English)
    title
    Phenethyl Isothiocyanate (English)
    has quality
    bitterness English
    1 reference
    stated in
    BitterDB English
    physically interacts with
    Q24770266 (Deleted Item)
    subject has role
    Q389934 (Deleted Item)
    1 reference
    stated in
    Q22337151 (Deleted Item)
    P11199 (Deleted Property)
    PD058812 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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