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CHEBI:144353 - diethyldithiocarbamic acid

ChEBI IDCHEBI:144353
ChEBI Namediethyldithiocarbamic acid
Stars
DefinitionA member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.
Last Modified12 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H11NS2
Net Charge0
Average Mass149.284
Monoisotopic Mass149.03329
SMILESCCN(CC)C(=S)S
InChIInChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyLMBWSYZSUOEYSN-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
copper chelator  A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points.
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
ChEBI Ontology
Outgoing Relation(s)
diethyldithiocarbamic acid (CHEBI:144353) has role chelator (CHEBI:38161)
diethyldithiocarbamic acid (CHEBI:144353) has role copper chelator (CHEBI:166831)
diethyldithiocarbamic acid (CHEBI:144353) is a dithiocarbamic acids (CHEBI:78787)
diethyldithiocarbamic acid (CHEBI:144353) is conjugate acid of diethyldithiocarbamate (CHEBI:144359)
Incoming Relation(s)
zinc diethyldithiocarbamate (CHEBI:144351) has functional parent diethyldithiocarbamic acid (CHEBI:144353)
diethyldithiocarbamate (CHEBI:144359) is conjugate base of diethyldithiocarbamic acid (CHEBI:144353)
IUPAC Name 
diethylcarbamodithioic acid
Synonyms  Source
N,N-diethylcarbamodithioic acidChEBI
N,N-diethyldithiocarbamic acidChEBI
DitiocarbChemIDplus
Manual XrefsDatabases
C19150KEGG COMPOUND
DB02520DrugBank
Registry NumbersSources
Reaxys:1747741Reaxys
CAS:147-84-2ChemIDplus
CAS:147-84-2NIST Chemistry WebBook
Citations