2-(4-ethylsulfanylphenyl)acetic acid

C10H12O2S — CID 5210553

IUPAC2-(4-ethylsulfanylphenyl)acetic acid
SMILESCCSc1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H12O2S/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyZVLYXVZYZDRFND-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-ethylsulfanylphenyl)acetic acid

2-(4-ethylsulfanylphenyl)acetic acid (PubChem CID 5210553) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)acetic acid
PubChem CID5210553
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-(4-ethylsulfanylphenyl)acetic acid
SMILESCCSc1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H12O2S/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyZVLYXVZYZDRFND-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-ethylsulfanylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)acetic acid?
The IUPAC name of 2-(4-ethylsulfanylphenyl)acetic acid (CID 5210553) is 2-(4-ethylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)acetic acid is CCSc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)acetic acid?
The InChIKey is ZVLYXVZYZDRFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of 2-(4-ethylsulfanylphenyl)acetic acid?
2-(4-ethylsulfanylphenyl)acetic acid has a molecular weight of 196.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)acetic acid is sourced from PubChem (CID 5210553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).