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CHEBI:82084 - prothiocarb

ChEBI IDCHEBI:82084
ChEBI Nameprothiocarb
Stars
DefinitionA 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.
Last Modified7 July 2015
DownloadsMolfile
FormulaC8H18N2OS
Net Charge0
Average Mass190.312
Monoisotopic Mass190.11398
SMILESCCSC(=O)NCCCN(C)C
InChIInChI=1S/C8H18N2OS/c1-4-12-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)
InChIKeyYRRBXJLFCBCKNW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
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  Source
S-ethyl (3-dimethylaminopropyl)thiocarbamateAlan Wood's Pesticides
S-ethyl N-[3-(dimethylamino)propyl]carbamothioateAlan Wood's Pesticides
N-(3-dimethylaminopropyl)thiocarbamic acid S-ethyl esterChemIDplus
Manual XrefsDatabases
C18943KEGG COMPOUND
prothiocarbAlan Wood's Pesticides
1112PPDB
Registry NumbersSources
Reaxys:2078612Reaxys
CAS:19622-08-3ChemIDplus
Citations