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> Main
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.
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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):
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
Types
Sources
1848982
PubMed citation
Europe PMC
1851986
PubMed citation
Europe PMC
2902461
PubMed citation
Europe PMC
31465063
PubMed citation
Europe PMC
Last Modified
12 November 2020