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ONTOLOGY REPORT - ANNOTATIONS


Term:toluene 2,4-diisothiocyanate
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Accession:CHEBI:63896 term browser browse the term
Definition:A toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.
Synonyms:exact_synonym: 2,4-diisothiocyanato-1-methylbenzene
 related_synonym: 1-methylbenzene-2,4-diisothiocyanate;   2,4-TITC;   2,4-Tolylene diisothiocyanate;   2,4-diisothiocyanatotoluene;   4-methyl-m-phenylene diisothiocyanate;   Formula=C9H6N2S2;   InChI=1S/C9H6N2S2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3;   InChIKey=NNMVCFPMIBOZCL-UHFFFAOYSA-N;   Isothiocyanic acid, 2,4-tolylene diester;   Isothiocyanic acid, 4-methyl-m-phenylene ester;   SMILES=Cc1ccc(cc1N=C=S)N=C=S;   toluene-2,4-diyl diisothiocyanate
 xref: Beilstein:2415812 "ChemIDplus";   CAS:4891-66-1 "ChemIDplus";   PMID:21878336 "Europe PMC";   Reaxys:2415812 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19754
    role 19701
      biological role 19700
        hapten 2977
          toluene 2,4-diisothiocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19754
    subatomic particle 19752
      composite particle 19752
        hadron 19752
          baryon 19752
            nucleon 19752
              atomic nucleus 19752
                atom 19752
                  main group element atom 19637
                    p-block element atom 19637
                      carbon group element atom 19528
                        carbon atom 19517
                          organic molecular entity 19517
                            heteroorganic entity 19095
                              organochalcogen compound 18793
                                organosulfur compound 15037
                                  isothiocyanate 2854
                                    toluene meta-diisothiocyanate 0
                                      toluene 2,4-diisothiocyanate 0
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