(S)-2-(benzoylthio)-3-phenylpropanoic acid

HCID 9878985
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Basic information

Standard SMILES
O=C(S[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1
InChIKey
HEDPYMVCQLZHHF-AWEZNQCLSA-N
Molecular formula
C16H14O3S
Average molar mass
286.3 g/mol

Names & identifiers

Preferred name
(S)-2-(benzoylthio)-3-phenylpropanoic acid
IUPAC
(2S)-2-benzoylsulfanyl-3-phenylpropanoic acid

Names & synonyms

CHEMBL87857SCHEMBL7164414HEDPYMVCQLZHHF-AWEZNQCLSA-NBDBM50488262(S)-2-(benzoylthio)-3-phenylpropanoic acid

Database identifiers

PubChem CID
9878985
ChEMBL
CHEMBL87857
Nikkaji
J1.175.571B

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
79.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20

Related reactions

1 records
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Compound notes

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