prothiocarb (CHEBI:82084)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	prothiocarb

ChEBI ID	CHEBI:82084

Definition	A monothiocarbamic ester that is ethanethiol in which the hydrogen attached to the sulfur is replaced by a [3-(dimethylamino)propyl]carbamoyl group. Formerly used (generally as the hydrochloride salt) as an agricultural fungicide, it is not approved for use within the European Union.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB8853998, eMolecules:517667

Download	Molfile XML SDF

Formula

C8H18N2OS

Net Charge

Average Mass

190.30600

Monoisotopic Mass

190.11398

InChI

InChI=1S/C8H18N2OS/c1-4-12-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)

InChIKey

YRRBXJLFCBCKNW-UHFFFAOYSA-N

SMILES

CCSC(=O)NCCCN(C)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

ChEBI Ontology
Outgoing	prothiocarb (CHEBI:82084) has role antifungal agrochemical (CHEBI:86328) prothiocarb (CHEBI:82084) is a monothiocarbamic ester (CHEBI:38128) prothiocarb (CHEBI:82084) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

S-ethyl [3-(dimethylamino)propyl]carbamothioate

Synonyms	Sources
N-(3-dimethylaminopropyl)thiocarbamic acid S-ethyl ester	ChemIDplus
S-ethyl (3-dimethylaminopropyl)thiocarbamate	Alan Wood's Pesticides
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate	Alan Wood's Pesticides

Last Modified

07 July 2015