Terminology Service for NFDI4Health
toluene 2,4-diisothiocyanate
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http://purl.obolibrary.org/obo/CHEBI_63896
A toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.
Term info
Label
toluene 2,4-diisothiocyanate
Synonyms
- 2,4-diisothiocyanato-1-methylbenzene
Subsets
3_STAR
charge
0
formula
C9H6N2S2
has obo namespace
chebi_ontology
has related synonym
Isothiocyanic acid, 4-methyl-m-phenylene ester, 2,4-Tolylene diisothiocyanate, 2,4-toluene diisothiocyanate, toluene-2,4-diyl diisothiocyanate, 4-methyl-m-phenylene diisothiocyanate, 1-methylbenzene-2,4-diisothiocyanate, 2,4-TITC, Isothiocyanic acid, 2,4-tolylene diester, 2,4-diisothiocyanatotoluene
id
CHEBI:63896
inchi
InChI=1S/C9H6N2S2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
inchikey
NNMVCFPMIBOZCL-UHFFFAOYSA-N
mass
206.28700
monoisotopicmass
205.99724
smiles
Cc1ccc(cc1N=C=S)N=C=S