3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol

C10H22O5S2 — CID 21337102

IUPAC3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol
SMILESSCCCOOCCOCCOOCCCS
InChIInChI=1S/C10H22O5S2/c16-9-1-3-12-14-7-5-11-6-8-15-13-4-2-10-17/h16-17H,1-10H2
InChIKeyQTZUJUCZDNRQBY-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.54
Rot. Bonds14

About 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol

3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol (PubChem CID 21337102) has the molecular formula C10H22O5S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol.

Molecular Properties

Compound Name3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol
PubChem CID21337102
Molecular FormulaC10H22O5S2
Molecular Weight286.42 g/mol
Exact Mass286.09
IUPAC Name3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol
SMILESSCCCOOCCOCCOOCCCS
InChIInChI=1S/C10H22O5S2/c16-9-1-3-12-14-7-5-11-6-8-15-13-4-2-10-17/h16-17H,1-10H2
InChIKeyQTZUJUCZDNRQBY-UHFFFAOYSA-N
XLogP1.54
TPSA46.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol?
The IUPAC name of 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol (CID 21337102) is 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol.
What is the SMILES notation for 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol?
The canonical SMILES for 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol is SCCCOOCCOCCOOCCCS.
What is the InChIKey of 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol?
The InChIKey is QTZUJUCZDNRQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5S2/c16-9-1-3-12-14-7-5-11-6-8-15-13-4-2-10-17/h16-17H,1-10H2.
What are the key properties of 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol?
3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol has a molecular weight of 286.42 g/mol, XLogP of 1.54, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-sulfanylpropylperoxy)ethoxy]ethylperoxy]propane-1-thiol is sourced from PubChem (CID 21337102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).