Benzyl 2-(benzylsulfanyl)benzoate

HCID 802018
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Basic information

Standard SMILES
O=C(OCc1ccccc1)c1ccccc1SCc1ccccc1
InChIKey
UPXJMHHLFKZHJM-UHFFFAOYSA-N
Molecular formula
C21H18O2S
Average molar mass
334.4 g/mol

Names & identifiers

Preferred name
Benzyl 2-(benzylsulfanyl)benzoate
IUPAC
benzyl 2-benzylsulfanylbenzoate

Names & synonyms

BENZYL 2-(BENZYLSULFANYL)BENZOATEbenzyl 2-(benzylthio)benzoateSCHEMBL1900103UPXJMHHLFKZHJM-UHFFFAOYSA-NAKOS003268360phenylmethyl 2-(phenylmethylthio)benzoate2-Benzylsulfanyl Benzoic Acid Benzyl EsterST45006586

Database identifiers

PubChem CID
802018

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
24

Related reactions

9 records
New reaction record

Linked notes

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