EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:144357 - carba mix

ChEBI IDCHEBI:144357
ChEBI Namecarba mix
Stars
DefinitionA mixture of three allergens: diphenylguanidine, zinc dibutyldithiocarbamate and zinc diethyldithiocarbamate, chemicals used as fungicides and pesticides, and also in the manufacture of many rubber products.
Last Modified25 July 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H13N3.2C5H10NS2.2C9H18NS2.2Zn
Net Charge0
Average Mass1047.368
Monoisotopic Mass1043.19630
SMILESCCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].N=C(Nc1ccccc1)Nc1ccccc1.[Zn+2].[Zn+2]
InChIInChI=1S/C13H13N3.2C9H19NS2.2C5H11NS2.2Zn/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;2*1-3-5-7-10(9(11)12)8-6-4-2;2*1-3-6(4-2)5(7)8;;/h1-10H,(H3,14,15,16);2*3-8H2,1-2H3,(H,11,12);2*3-4H2,1-2H3,(H,7,8);;/q;;;;;2*+2/p-4
InChIKeyLZTCCFUMVXQARJ-UHFFFAOYSA-J
ChEBI Ontology
Outgoing Relation(s)
carba mix (CHEBI:144357) has part 1,3-diphenylguanidine (CHEBI:144319)
carba mix (CHEBI:144357) has part zinc dibutyldithiocarbamate (CHEBI:144323)
carba mix (CHEBI:144357) has part zinc diethyldithiocarbamate (CHEBI:144351)
carba mix (CHEBI:144357) is a mixture (CHEBI:60004)
Synonym  Source
(T-4)-bis(dibutylcarbamodithioato-S,S')zinc, mixture with (T-4)-bis(diethylcarbamodithioato-S,S')zinc and N,N'-diphenylguanidineChemIDplus
Registry NumbersSources
CAS:123618-05-3ChemIDplus
Citations