3-(2-sulfanylethoxy)propanoic acid

C5H10O3S — CID 19987106

IUPAC3-(2-sulfanylethoxy)propanoic acid
SMILESO=C(O)CCOCCS
InChIInChI=1S/C5H10O3S/c6-5(7)1-2-8-3-4-9/h9H,1-4H2,(H,6,7)
InChIKeyZSOWTTJLZBIPQR-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.41
Rot. Bonds5

About 3-(2-sulfanylethoxy)propanoic acid

3-(2-sulfanylethoxy)propanoic acid (PubChem CID 19987106) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 3-(2-sulfanylethoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-sulfanylethoxy)propanoic acid
PubChem CID19987106
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name3-(2-sulfanylethoxy)propanoic acid
SMILESO=C(O)CCOCCS
InChIInChI=1S/C5H10O3S/c6-5(7)1-2-8-3-4-9/h9H,1-4H2,(H,6,7)
InChIKeyZSOWTTJLZBIPQR-UHFFFAOYSA-N
XLogP0.41
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(2-sulfanylethoxy)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid
CID 160861388
2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 174804995
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
acetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 162307882
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
CID 172913435
CID 172913435
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573

Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanylethoxy)propanoic acid?
The IUPAC name of 3-(2-sulfanylethoxy)propanoic acid (CID 19987106) is 3-(2-sulfanylethoxy)propanoic acid.
What is the SMILES notation for 3-(2-sulfanylethoxy)propanoic acid?
The canonical SMILES for 3-(2-sulfanylethoxy)propanoic acid is O=C(O)CCOCCS.
What is the InChIKey of 3-(2-sulfanylethoxy)propanoic acid?
The InChIKey is ZSOWTTJLZBIPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c6-5(7)1-2-8-3-4-9/h9H,1-4H2,(H,6,7).
What are the key properties of 3-(2-sulfanylethoxy)propanoic acid?
3-(2-sulfanylethoxy)propanoic acid has a molecular weight of 150.20 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanylethoxy)propanoic acid is sourced from PubChem (CID 19987106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).