CHEBI:144353 - diethyldithiocarbamic acid

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ChEBI Name diethyldithiocarbamic acid
ChEBI ID CHEBI:144353
Definition A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H11NS2
Net Charge 0
Average Mass 149.270
Monoisotopic Mass 149.03329
InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey LMBWSYZSUOEYSN-UHFFFAOYSA-N
SMILES C(=S)(S)N(CC)CC
Roles Classification
Chemical Role(s): chelator
A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
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ChEBI Ontology
Outgoing diethyldithiocarbamic acid (CHEBI:144353) has role chelator (CHEBI:38161)
diethyldithiocarbamic acid (CHEBI:144353) is a dithiocarbamic acids (CHEBI:78787)
diethyldithiocarbamic acid (CHEBI:144353) is conjugate acid of diethyldithiocarbamate (CHEBI:144359)
Incoming 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 Sources
Ditiocarb ChemIDplus
N,N-diethylcarbamodithioic acid ChEBI
N,N-diethyldithiocarbamic acid ChEBI
Manual Xrefs Databases
C19150 KEGG COMPOUND
DB02520 DrugBank
View more database links
Registry Numbers Types Sources
147-84-2 CAS Registry Number NIST Chemistry WebBook
147-84-2 CAS Registry Number ChemIDplus
1747741 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1848982 PubMed citation Europe PMC
1851986 PubMed citation Europe PMC
2902461 PubMed citation Europe PMC
31465063 PubMed citation Europe PMC
Last Modified
04 June 2020