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CHEBI:6964 - molinate

Default Structure
ChEBI IDCHEBI:6964
ChEBI Namemolinate
Stars
DefinitionA member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies.
Last Modified8 October 2019
DownloadsMolfile
FormulaC9H17NOS
Net Charge0
Average Mass187.308
Monoisotopic Mass187.10309
SMILESCCSC(=O)N1CCCCCC1
InChIInChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKeyDEDOPGXGGQYYMW-UHFFFAOYSA-N
Roles Classification
Applications:
antispermatogenic agent  An agent that destroy spermatozoa in the male genitalia and block spermatogenesis.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
molinate (CHEBI:6964) has role agrochemical (CHEBI:33286)
molinate (CHEBI:6964) has role antispermatogenic agent (CHEBI:145047)
molinate (CHEBI:6964) has role herbicide (CHEBI:24527)
molinate (CHEBI:6964) is a azepanes (CHEBI:46986)
molinate (CHEBI:6964) is a monothiocarbamic ester (CHEBI:38128)
IUPAC Name 
S-ethyl azepane-1-carbothioate
Synonyms  Source
S-ethyl 1-hexamethyleneiminothiocarbamateNIST Chemistry WebBook
S-ethyl N,N-hexamethylenethiocarbamateNIST Chemistry WebBook
S-ethyl N,N-hexamethylenothiocarbamateNIST Chemistry WebBook
S-ethyl-N-hexamethylenethiocarbamateNIST Chemistry WebBook
S-ethyl hexahydro-1H-azepine-1-carbothioateAlan Wood's Pesticides
S-ethyl hexahydroazepine-1-carbothioateNIST Chemistry WebBook
Brand Name  Source
OrdramKEGG COMPOUND
Manual XrefsDatabases
473PPDB
C11086KEGG COMPOUND
molinateAlan Wood's Pesticides
Registry NumbersSources
CAS:2212-67-1KEGG COMPOUND
CAS:2212-67-1Alan Wood's Pesticides
CAS:2212-67-1ChemIDplus
CAS:2212-67-1NIST Chemistry WebBook
Citations