Dimethyl 2-thioanisylterepthalate

HCID 86744855
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Basic information

Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(-c2cc(SC)ccc2C)c1
InChIKey
RTXHSWIJKXEGFG-UHFFFAOYSA-N
Molecular formula
C18H18O4S
Average molar mass
330.4 g/mol
Monoisotopic mass
330.09258022

Names & identifiers

Preferred name
Dimethyl 2-thioanisylterepthalate
IUPAC
dimethyl 2-(2-methyl-5-methylsulfanylphenyl)benzene-1,4-dicarboxylate

Names & synonyms

Dimethyl 2-thioanisylterepthalateRTXHSWIJKXEGFG-UHFFFAOYSA-N

Database identifiers

PubChem CID
86744855

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
77.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
23

Related reactions

4 records
New reaction record

Linked notes

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