diethyldithiocarbamic acid (CHEBI:144353)

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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

Download	Molfile XML SDF

Formula

C5H11NS2

Net Charge

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.

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

Last Modified

12 November 2020