ethyl 2-(4-methylsulfanylphenyl)acetate

C11H14O2S — CID 10512649

IUPACethyl 2-(4-methylsulfanylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(SC)cc1
InChIInChI=1S/C11H14O2S/c1-3-13-11(12)8-9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyZLQPAONBGBXGFN-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.51
Rot. Bonds4

About ethyl 2-(4-methylsulfanylphenyl)acetate

ethyl 2-(4-methylsulfanylphenyl)acetate (PubChem CID 10512649) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is ethyl 2-(4-methylsulfanylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methylsulfanylphenyl)acetate
PubChem CID10512649
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Nameethyl 2-(4-methylsulfanylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(SC)cc1
InChIInChI=1S/C11H14O2S/c1-3-13-11(12)8-9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyZLQPAONBGBXGFN-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylsulfanylphenyl)acetate?
The IUPAC name of ethyl 2-(4-methylsulfanylphenyl)acetate (CID 10512649) is ethyl 2-(4-methylsulfanylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-methylsulfanylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-methylsulfanylphenyl)acetate is CCOC(=O)Cc1ccc(SC)cc1.
What is the InChIKey of ethyl 2-(4-methylsulfanylphenyl)acetate?
The InChIKey is ZLQPAONBGBXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-3-13-11(12)8-9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-methylsulfanylphenyl)acetate?
ethyl 2-(4-methylsulfanylphenyl)acetate has a molecular weight of 210.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylsulfanylphenyl)acetate is sourced from PubChem (CID 10512649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).