Ethyl (4-methylbenzylthio)acetate

HCID 4107274
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Basic information

Standard SMILES
CCOC(=O)CSCc1ccc(C)cc1
InChIKey
PBSSYSNVKZYEAB-UHFFFAOYSA-N
Molecular formula
C12H16O2S
Average molar mass
224.32 g/mol

Names & identifiers

Preferred name
Ethyl (4-methylbenzylthio)acetate
IUPAC
ethyl 2-[(4-methylphenyl)methylsulfanyl]acetate

Names & synonyms

ethyl (4-methylbenzylthio)acetateSCHEMBL17785155PBSSYSNVKZYEAB-UHFFFAOYSA-NAKOS017090749

Database identifiers

PubChem CID
4107274

Properties

Computed structural properties

XLogP
3
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
15

Related reactions

27 records
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Linked notes

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