2-ethoxy-2-(5-ethoxypentoxy)ethanethiol

C11H24O3S — CID 87428681

IUPAC2-ethoxy-2-(5-ethoxypentoxy)ethanethiol
SMILESCCOCCCCCOC(CS)OCC
InChIInChI=1S/C11H24O3S/c1-3-12-8-6-5-7-9-14-11(10-15)13-4-2/h11,15H,3-10H2,1-2H3
InChIKeyCIXCCMPGSCNFPP-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.50
Rot. Bonds11

About 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol

2-ethoxy-2-(5-ethoxypentoxy)ethanethiol (PubChem CID 87428681) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol.

Molecular Properties

Compound Name2-ethoxy-2-(5-ethoxypentoxy)ethanethiol
PubChem CID87428681
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name2-ethoxy-2-(5-ethoxypentoxy)ethanethiol
SMILESCCOCCCCCOC(CS)OCC
InChIInChI=1S/C11H24O3S/c1-3-12-8-6-5-7-9-14-11(10-15)13-4-2/h11,15H,3-10H2,1-2H3
InChIKeyCIXCCMPGSCNFPP-UHFFFAOYSA-N
XLogP2.50
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol 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-ethoxy-2-(5-ethoxypentoxy)ethanethiol?
The IUPAC name of 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol (CID 87428681) is 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol.
What is the SMILES notation for 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol?
The canonical SMILES for 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol is CCOCCCCCOC(CS)OCC.
What is the InChIKey of 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol?
The InChIKey is CIXCCMPGSCNFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-3-12-8-6-5-7-9-14-11(10-15)13-4-2/h11,15H,3-10H2,1-2H3.
What are the key properties of 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol?
2-ethoxy-2-(5-ethoxypentoxy)ethanethiol has a molecular weight of 236.38 g/mol, XLogP of 2.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(5-ethoxypentoxy)ethanethiol is sourced from PubChem (CID 87428681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).