Terminology Service for NFDI4Health
toluene 2,6-diisothiocyanate
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http://purl.obolibrary.org/obo/CHEBI_63898
A toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring.
Term info
Label
toluene 2,6-diisothiocyanate
Synonyms
- 1,3-diisothiocyanato-2-methylbenzene
Subsets
3_STAR
charge
0
formula
C9H6N2S2
has obo namespace
chebi_ontology
has related synonym
2,6-diisothiocyanatotoluene, 2,6-TITC, 1-methylbenzene-2,6-diisothiocyanate, 2,6-tolylene diisothiocyanate, 2,6-toluenediisothiocyanate
id
CHEBI:63898
inchi
InChI=1S/C9H6N2S2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
inchikey
AZXFPXMWSWRZLF-UHFFFAOYSA-N
mass
206.28700
monoisotopicmass
205.99724
smiles
Cc1c(cccc1N=C=S)N=C=S