2-(4-ethoxyphenyl)sulfanylacetic acid

C10H12O3S — CID 2474268

IUPAC2-(4-ethoxyphenyl)sulfanylacetic acid
SMILESCCOc1ccc(SCC(=O)O)cc1
InChIInChI=1S/C10H12O3S/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyUEWLGUBBIVUMRG-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.26
Rot. Bonds5

About 2-(4-ethoxyphenyl)sulfanylacetic acid

2-(4-ethoxyphenyl)sulfanylacetic acid (PubChem CID 2474268) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanylacetic acid
PubChem CID2474268
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-(4-ethoxyphenyl)sulfanylacetic acid
SMILESCCOc1ccc(SCC(=O)O)cc1
InChIInChI=1S/C10H12O3S/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyUEWLGUBBIVUMRG-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanylacetic acid?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanylacetic acid (CID 2474268) is 2-(4-ethoxyphenyl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanylacetic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanylacetic acid is CCOc1ccc(SCC(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanylacetic acid?
The InChIKey is UEWLGUBBIVUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of 2-(4-ethoxyphenyl)sulfanylacetic acid?
2-(4-ethoxyphenyl)sulfanylacetic acid has a molecular weight of 212.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanylacetic acid is sourced from PubChem (CID 2474268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).