2-[(2-Oxotetrahydro-3-furanyl)sulfanyl]benzoic acid

HCID 13622276
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Basic information

Standard SMILES
O=C(O)c1ccccc1SC1CCOC1=O
InChIKey
PCPCBDJBLRFOKB-UHFFFAOYSA-N
Molecular formula
C11H10O4S
Average molar mass
238.26 g/mol

Names & identifiers

Preferred name
2-[(2-Oxotetrahydro-3-furanyl)sulfanyl]benzoic acid
IUPAC
2-(2-oxooxolan-3-yl)sulfanylbenzoic acid

Names & synonyms

SCHEMBL11337965PCPCBDJBLRFOKB-UHFFFAOYSA-NAKOS009143083alpha-[(2-carboxyphenyl)thio]-gamma-butyrolactone2-(2-oxo-tetrahydro-furan-3-yl)sulfanyl-benzoic acid2-[(2-oxotetrahydro-3-furanyl)sulfanyl]benzoic acid

Database identifiers

PubChem CID
13622276

Properties

Computed structural properties

XLogP
2
Topological polar surface area
88.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
16

Related reactions

4 records
New reaction record

Compound notes

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