3-[2-[2-Phenylethoxy]ethylthio]propanoic acid

HCID 19082263
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Basic information

Standard SMILES
O=C(O)CCSCCOCCc1ccccc1
InChIKey
WZCGUOXZUQJVJD-UHFFFAOYSA-N
Molecular formula
C13H18O3S
Average molar mass
254.35 g/mol

Names & identifiers

Preferred name
3-[2-[2-Phenylethoxy]ethylthio]propanoic acid
IUPAC
3-[2-(2-phenylethoxy)ethylsulfanyl]propanoic acid

Names & synonyms

SCHEMBL4531503WZCGUOXZUQJVJD-UHFFFAOYSA-N3-[2-[2-phenylethoxy]ethylthio]propanoic acid

Database identifiers

PubChem CID
19082263

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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