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CHEBI:63898 - toluene 2,6-diisothiocyanate

ChEBI IDCHEBI:63898
ChEBI Nametoluene 2,6-diisothiocyanate
Stars
DefinitionA toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring.
Last Modified13 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC9H6N2S2
Net Charge0
Average Mass206.295
Monoisotopic Mass205.99724
SMILESCc1c(N=C=S)cccc1N=C=S
InChIInChI=1S/C9H6N2S2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
InChIKeyAZXFPXMWSWRZLF-UHFFFAOYSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
toluene 2,6-diisothiocyanate (CHEBI:63898) has role hapten (CHEBI:59174)
toluene 2,6-diisothiocyanate (CHEBI:63898) is a toluene meta-diisothiocyanate (CHEBI:63897)
IUPAC Name 
1,3-diisothiocyanato-2-methylbenzene
Synonyms  Source
2,6-TITCChEBI
2,6-toluenediisothiocyanateChEBI
2,6-diisothiocyanatotolueneChEBI
1-methylbenzene-2,6-diisothiocyanateChEBI
2,6-tolylene diisothiocyanateChEBI
Registry NumbersSources
Reaxys:2367268Reaxys
Citations