CHEBI:6964 - molinate

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ChEBI Name molinate ChEBI ID CHEBI:6964 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H17NOS Net Charge 0 Average Mass 187.300 Monoisotopic Mass 187.10309 InChI InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 InChIKey DEDOPGXGGQYYMW-UHFFFAOYSA-N SMILES C1CN(C(SCC)=O)CCCC1 Roles Classification Application(s): antispermatogenic agent An agent that destroy spermatozoa in the male genitalia and block spermatogenesis. herbicide A substance used to destroy plant pests. agrochemical An agrochemical is a substance that is used in agriculture or horticulture. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources ethyl 1-hexamethyleneiminecarbothiolate NIST Chemistry WebBook molinate KEGG COMPOUND S-ethyl 1-hexamethyleneiminothiocarbamate NIST Chemistry WebBook S-ethyl hexahydro-1H-azepine-1-carbothioate Alan Wood's Pesticides S-ethyl hexahydroazepine-1-carbothioate NIST Chemistry WebBook S-ethyl N,N-hexamethylenethiocarbamate NIST Chemistry WebBook S-ethyl N,N-hexamethylenothiocarbamate NIST Chemistry WebBook S-ethyl perhydroazepine-1-carbothioate Alan Wood's Pesticides S-ethyl perhydroazepine-1-thiocarboxylate Alan Wood's Pesticides S-ethyl-N-hexamethylenethiocarbamate NIST Chemistry WebBook Brand Name Source Ordram KEGG COMPOUND Manual Xrefs Databases 473 PPDB C11086 KEGG COMPOUND molinate Alan Wood's Pesticides View more database links Registry Numbers Types Sources 2212-67-1 CAS Registry Number ChemIDplus 2212-67-1 CAS Registry Number NIST Chemistry WebBook 2212-67-1 CAS Registry Number Alan Wood's Pesticides Citations Types Sources 11452140 PubMed citation Europe PMC 16380149 PubMed citation Europe PMC 16417035 PubMed citation Europe PMC 19545510 PubMed citation Europe PMC 20862524 PubMed citation Europe PMC 20954713 PubMed citation Europe PMC 21216347 PubMed citation Europe PMC 22456730 PubMed citation Europe PMC 24193246 PubMed citation Europe PMC 24928378 PubMed citation Europe PMC 24946031 PubMed citation Europe PMC 25636851 PubMed citation Europe PMC 25905461 PubMed citation Europe PMC 27421102 PubMed citation Europe PMC IND91023048 Agricola citation Europe PMC Last Modified 08 October 2019