1-[2-(2-propoxyethylsulfanyl)ethoxy]propane

C10H22O2S — CID 58332404

IUPAC1-[2-(2-propoxyethylsulfanyl)ethoxy]propane
SMILESCCCOCCSCCOCCC
InChIInChI=1S/C10H22O2S/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-10H2,1-2H3
InChIKeyKWMKSFNHHRBILO-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.57
Rot. Bonds10

About 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane

1-[2-(2-propoxyethylsulfanyl)ethoxy]propane (PubChem CID 58332404) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane.

Molecular Properties

Compound Name1-[2-(2-propoxyethylsulfanyl)ethoxy]propane
PubChem CID58332404
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-[2-(2-propoxyethylsulfanyl)ethoxy]propane
SMILESCCCOCCSCCOCCC
InChIInChI=1S/C10H22O2S/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-10H2,1-2H3
InChIKeyKWMKSFNHHRBILO-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane 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 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane?
The IUPAC name of 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane (CID 58332404) is 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane.
What is the SMILES notation for 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane?
The canonical SMILES for 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane is CCCOCCSCCOCCC.
What is the InChIKey of 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane?
The InChIKey is KWMKSFNHHRBILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane?
1-[2-(2-propoxyethylsulfanyl)ethoxy]propane has a molecular weight of 206.35 g/mol, XLogP of 2.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propoxyethylsulfanyl)ethoxy]propane is sourced from PubChem (CID 58332404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).