Methyl 2-methyl-3-(4-methylthiobenzyl)inden-1-ylacetate

HCID 18367447
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Basic information

Standard SMILES
COC(=O)CC1C(C)=C(Cc2ccc(SC)cc2)c2ccccc21
InChIKey
NPDQOAQALGTZNN-UHFFFAOYSA-N
Molecular formula
C21H22O2S
Average molar mass
338.5 g/mol
Monoisotopic mass
338.13405111

Names & identifiers

Preferred name
Methyl 2-methyl-3-(4-methylthiobenzyl)inden-1-ylacetate
IUPAC
methyl 2-[2-methyl-3-[(4-methylsulfanylphenyl)methyl]-1H-inden-1-yl]acetate

Names & synonyms

SCHEMBL7926123NPDQOAQALGTZNN-UHFFFAOYSA-NMethyl 2-methyl-3-(4-methylthiobenzyl)inden-1-ylacetate

Database identifiers

PubChem CID
18367447

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
24

Related reactions

3 records
New reaction record

Compound notes

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