3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol

C11H24S6 — CID 139816250

IUPAC3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
SMILESSCCCSCCSCCSCCSCCS
InChIInChI=1S/C11H24S6/c12-2-1-4-14-6-8-16-10-11-17-9-7-15-5-3-13/h12-13H,1-11H2
InChIKeyOFMATEQHUCJGRJ-UHFFFAOYSA-N
MW348.72 g/mol
LogP4.17
Rot. Bonds14

About 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol

3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol (PubChem CID 139816250) has the molecular formula C11H24S6 and a molecular weight of 348.72 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol.

Molecular Properties

Compound Name3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
PubChem CID139816250
Molecular FormulaC11H24S6
Molecular Weight348.72 g/mol
Exact Mass348.02
IUPAC Name3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
SMILESSCCCSCCSCCSCCSCCS
InChIInChI=1S/C11H24S6/c12-2-1-4-14-6-8-16-10-11-17-9-7-15-5-3-13/h12-13H,1-11H2
InChIKeyOFMATEQHUCJGRJ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.72
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol?
The IUPAC name of 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol (CID 139816250) is 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol.
What is the SMILES notation for 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol?
The canonical SMILES for 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol is SCCCSCCSCCSCCSCCS.
What is the InChIKey of 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol?
The InChIKey is OFMATEQHUCJGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S6/c12-2-1-4-14-6-8-16-10-11-17-9-7-15-5-3-13/h12-13H,1-11H2.
What are the key properties of 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol?
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol has a molecular weight of 348.72 g/mol, XLogP of 4.17, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol is sourced from PubChem (CID 139816250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).