3-(3-sulfanylpropyldisulfanyl)propane-1-thiol

C6H14S4 — CID 14662776

IUPAC3-(3-sulfanylpropyldisulfanyl)propane-1-thiol
SMILESSCCCSSCCCS
InChIInChI=1S/C6H14S4/c7-3-1-5-9-10-6-2-4-8/h7-8H,1-6H2
InChIKeyKTJKAUMRBSAQLR-UHFFFAOYSA-N
MW214.45 g/mol
LogP3.01
Rot. Bonds7

About 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol

3-(3-sulfanylpropyldisulfanyl)propane-1-thiol (PubChem CID 14662776) has the molecular formula C6H14S4 and a molecular weight of 214.45 g/mol. Its IUPAC name is 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(3-sulfanylpropyldisulfanyl)propane-1-thiol
PubChem CID14662776
Molecular FormulaC6H14S4
Molecular Weight214.45 g/mol
Exact Mass214.00
IUPAC Name3-(3-sulfanylpropyldisulfanyl)propane-1-thiol
SMILESSCCCSSCCCS
InChIInChI=1S/C6H14S4/c7-3-1-5-9-10-6-2-4-8/h7-8H,1-6H2
InChIKeyKTJKAUMRBSAQLR-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol?
The IUPAC name of 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol (CID 14662776) is 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol.
What is the SMILES notation for 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol?
The canonical SMILES for 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol is SCCCSSCCCS.
What is the InChIKey of 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol?
The InChIKey is KTJKAUMRBSAQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S4/c7-3-1-5-9-10-6-2-4-8/h7-8H,1-6H2.
What are the key properties of 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol?
3-(3-sulfanylpropyldisulfanyl)propane-1-thiol has a molecular weight of 214.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-sulfanylpropyldisulfanyl)propane-1-thiol is sourced from PubChem (CID 14662776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).