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Accession:CHEBI:136947 term browser browse the term
Definition:An isothiocyanate that is octane in which two of the terminal methyl hydrogens at positions 1 and 8 have been replaced by isothiocyanato and methylsulfanyl groups.
Synonyms:exact_synonym: 1-isothiocyanato-8-(methylsulfanyl)octane
 related_synonym: 8-(methylsulfanyl)octylisothiocyanate;   Formula=C10H19NS2;   InChI=1S/C10H19NS2/c1-13-9-7-5-3-2-4-6-8-11-10-12/h2-9H2,1H3;   InChIKey=BFBMDZOSZQDEKW-UHFFFAOYSA-N;   SMILES=S(CCCCCCCCN=C=S)C
 xref: CAS:4430-41-5;   Chemspider:8346864;   HMDB:HMDB0038447;   KNApSAcK:C00000138;   Reaxys:1772481

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Term Annotations click to browse term
  CHEBI ontology 19770
    role 19717
      biological role 19716
        xenobiotic 18398
          octane 2091
            8-(methylthio)octylisothiocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    main group molecular entity 19655
                      s-block molecular entity 19398
                        hydrogen molecular entity 19388
                          hydrides 18363
                            organic hydride 17714
                              organic fundamental parent 17714
                                hydrocarbon 17201
                                  alkane 13417
                                    octane 2091
                                      8-(methylthio)octylisothiocyanate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.