1-(propyltrisulfanyl)propane

C6H14S3 — CID 22383

IUPAC1-(propyltrisulfanyl)propane
SMILESCCCSSSCCC
InChIInChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
InChIKeyGAZXPZNJTZIGBO-UHFFFAOYSA-N
MW182.38 g/mol
LogP3.84
Rot. Bonds6

About 1-(propyltrisulfanyl)propane

1-(propyltrisulfanyl)propane (PubChem CID 22383) has the molecular formula C6H14S3 and a molecular weight of 182.38 g/mol. Its IUPAC name is 1-(propyltrisulfanyl)propane.

Molecular Properties

Compound Name1-(propyltrisulfanyl)propane
PubChem CID22383
Molecular FormulaC6H14S3
Molecular Weight182.38 g/mol
Exact Mass182.03
IUPAC Name1-(propyltrisulfanyl)propane
SMILESCCCSSSCCC
InChIInChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
InChIKeyGAZXPZNJTZIGBO-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(propyltrisulfanyl)propane?
The IUPAC name of 1-(propyltrisulfanyl)propane (CID 22383) is 1-(propyltrisulfanyl)propane.
What is the SMILES notation for 1-(propyltrisulfanyl)propane?
The canonical SMILES for 1-(propyltrisulfanyl)propane is CCCSSSCCC.
What is the InChIKey of 1-(propyltrisulfanyl)propane?
The InChIKey is GAZXPZNJTZIGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3.
What are the key properties of 1-(propyltrisulfanyl)propane?
1-(propyltrisulfanyl)propane has a molecular weight of 182.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propyltrisulfanyl)propane is sourced from PubChem (CID 22383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).