2-[2-(2-sulfanylethoxy)ethoxy]acetic acid

C6H12O4S — CID 59866574

IUPAC2-[2-(2-sulfanylethoxy)ethoxy]acetic acid
SMILESO=C(O)COCCOCCS
InChIInChI=1S/C6H12O4S/c7-6(8)5-10-2-1-9-3-4-11/h11H,1-5H2,(H,7,8)
InChIKeyXUIYTUCOAMITCE-UHFFFAOYSA-N
MW180.22 g/mol
LogP0.03
Rot. Bonds7

About 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid

2-[2-(2-sulfanylethoxy)ethoxy]acetic acid (PubChem CID 59866574) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-sulfanylethoxy)ethoxy]acetic acid
PubChem CID59866574
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name2-[2-(2-sulfanylethoxy)ethoxy]acetic acid
SMILESO=C(O)COCCOCCS
InChIInChI=1S/C6H12O4S/c7-6(8)5-10-2-1-9-3-4-11/h11H,1-5H2,(H,7,8)
InChIKeyXUIYTUCOAMITCE-UHFFFAOYSA-N
XLogP0.03
TPSA55.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid (CID 59866574) is 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid is O=C(O)COCCOCCS.
What is the InChIKey of 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid?
The InChIKey is XUIYTUCOAMITCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S/c7-6(8)5-10-2-1-9-3-4-11/h11H,1-5H2,(H,7,8).
What are the key properties of 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid?
2-[2-(2-sulfanylethoxy)ethoxy]acetic acid has a molecular weight of 180.22 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-sulfanylethoxy)ethoxy]acetic acid is sourced from PubChem (CID 59866574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).