Methyl 2-(3,5-dimethylphenyl)sulfanylbenzoate

HCID 22492571
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Basic information

Standard SMILES
COC(=O)c1ccccc1Sc1cc(C)cc(C)c1
InChIKey
BJEVUASHLCMTCQ-UHFFFAOYSA-N
Molecular formula
C16H16O2S
Average molar mass
272.4 g/mol

Names & identifiers

Preferred name
Methyl 2-(3,5-dimethylphenyl)sulfanylbenzoate
IUPAC
methyl 2-(3,5-dimethylphenyl)sulfanylbenzoate

Names & synonyms

SCHEMBL4802025BJEVUASHLCMTCQ-UHFFFAOYSA-Nmethyl 2-(3,5-dimethylphenyl)sulfanylbenzoate

Database identifiers

PubChem CID
22492571
Nikkaji
J1.815.404H

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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