CHEBI:32403 - thien-2-ylacetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thien-2-ylacetate
ChEBI ID CHEBI:32403
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H5O2S
Net Charge -1
Average Mass 141.16870
Monoisotopic Mass 141.00157
InChI InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)/p-1
InChIKey SMJRBWINMFUUDS-UHFFFAOYSA-M
SMILES [O-]C(=O)Cc1cccs1
ChEBI Ontology
Outgoing thien-2-ylacetate (CHEBI:32403) is a thiophenes (CHEBI:26961)
thien-2-ylacetate (CHEBI:32403) is conjugate base of 2-thienylacetic acid (CHEBI:45807)
Incoming 2-thienylacetic acid (CHEBI:45807) is conjugate acid of thien-2-ylacetate (CHEBI:32403)
IUPAC Name
thiophen-2-ylacetate
Registry Numbers Types Sources
1006537 Gmelin Registry Number Gmelin
4981394 Beilstein Registry Number Beilstein
Last Modified
08 September 2008