CHEBI:39300 - propargite

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ChEBI Name propargite
ChEBI ID CHEBI:39300
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H26O4S
Net Charge 0
Average Mass 350.47334
Monoisotopic Mass 350.15518
InChI InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
InChIKey ZYHMJXZULPZUED-UHFFFAOYSA-N
SMILES CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1
Roles Classification
Application(s): sulfite ester acaricide

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ChEBI Ontology
Outgoing propargite (CHEBI:39300) has role sulfite ester acaricide (CHEBI:39301)
propargite (CHEBI:39300) is a sulfite ester (CHEBI:39088)
propargite (CHEBI:39300) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite
Synonyms Sources
2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulfite ChemIDplus
2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite ChemIDplus
2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite ChemIDplus
2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl sulfite ChemIDplus
2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite ChemIDplus
BPPS ChemIDplus
BPPS KEGG COMPOUND
Propargite ChemIDplus
Manual Xrefs Databases
547 PPDB
C18602 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2312-35-8 CAS Registry Number KEGG COMPOUND
2312-35-8 CAS Registry Number ChemIDplus
6934289 Beilstein Registry Number Beilstein
Last Modified
28 July 2014