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thien-2-ylacetate

PropertiesImage
MNX_IDMNXM86969 Image of MNXM86969
referencechebi:32403
formulaC6H5O2S
global charge-1
mol weight141.171
InChIKeySMJRBWINMFUUDS-UHFFFAOYSA-M
InChIInChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)/p-1
SMILESO=C([O-])CC1=CC=CS1
MNX internals
InChI (mnx)InChI=1/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8) Image of MNXM86969
SMILES (mnx)[CH:1]1=[CH:3][S:9][C:5]([CH2:4][C:6](=[O:7])[OH:8])=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:32403
chebi:32403
SMJRBWINMFUUDS-UHFFFAOYSA-M
thien-2-ylacetate
thiophen-2-ylacetate

CHEBI:45807
chebi:45807
SMJRBWINMFUUDS-UHFFFAOYSA-N
2-thienylacetic acid
2-(thiophen-2-yl)acetic acid
2-Thienylacetic acid
2-Thiopheneacetic acid
2-thiopheneacetic acid
THIOPHENEACETIC ACID
thiophene-2-acetic acid

seed.compound:cpd01696
seedM:cpd01696
sabiork.compound:6277
sabiorkM:6277
kegg.compound:C02595
keggC:C02595
SMJRBWINMFUUDS-UHFFFAOYSA-M
SMJRBWINMFUUDS-UHFFFAOYSA-N
Thien-2-ylacetate
2-Thienylacetic acid
2-Thiopheneacetic acid

chebi:45803
chebi:9540
keggC:M_C02595
seedM:M_cpd01696
secondary/obsolete/fantasy identifier