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toluene 2,6-diisothiocyanate
A toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring.


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03. Biological Effects of Specific Chemicals: hapten [CHEBI:59174] > toluene 2,6-diisothiocyanate [CHEBI:63898]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 hapten [CHEBI:59174] (92) 
 toluene 2,6-diisothiocyanate [CHEBI:63898] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 sulfur molecular entity [CHEBI:26835] (1541) 
 organosulfur compound [CHEBI:33261] (1005) 
 isothiocyanate [CHEBI:52221] (11) 
 toluene meta-diisothiocyanate [CHEBI:63897] (2) 
 toluene 2,6-diisothiocyanate [CHEBI:63898] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organosulfur compound [CHEBI:33261] (1005) 
 isothiocyanate [CHEBI:52221] (11) 
 toluene meta-diisothiocyanate [CHEBI:63897] (2) 
 toluene 2,6-diisothiocyanate [CHEBI:63898] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organosulfur compound [CHEBI:33261] (1005) 
 isothiocyanate [CHEBI:52221] (11) 
 toluene meta-diisothiocyanate [CHEBI:63897] (2) 
 toluene 2,6-diisothiocyanate [CHEBI:63898] (1)
ChEBI Compound Accession Identifier  [CHEBI:63898]
ChEBI Compound Description  A toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring.
ChEBI Compound Identification Number  63898
ChEBI InChI Value  InChI=1S/C9H6N2S2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
ChEBI InChIKey Value  AZXFPXMWSWRZLF-UHFFFAOYSA-N
ChEBI Compound Name  toluene 2,6-diisothiocyanate
ChEBI SMILES Value  Cc1c(cccc1N=C=S)N=C=S
ChEBI Substance ID  135610731
ChEBI URL  ChEBI:63898
ChemSpider ID  3509777
Ontomatica Chemical Accession Key (OnChAKey)  AZXFPXMWSWRZLF_UHFFFAOYSA_N_000_000000
PubChem Compound ID  4304043