(propyldisulfanyl)cyclopentane

C8H16S2 — CID 10171282

IUPAC(propyldisulfanyl)cyclopentane
SMILESCCCSSC1CCCC1
InChIInChI=1S/C8H16S2/c1-2-7-9-10-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyUAFZJUXEIFAONB-UHFFFAOYSA-N
MW176.35 g/mol
LogP3.72
Rot. Bonds4

About (propyldisulfanyl)cyclopentane

(propyldisulfanyl)cyclopentane (PubChem CID 10171282) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is (propyldisulfanyl)cyclopentane.

Molecular Properties

Compound Name(propyldisulfanyl)cyclopentane
PubChem CID10171282
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name(propyldisulfanyl)cyclopentane
SMILESCCCSSC1CCCC1
InChIInChI=1S/C8H16S2/c1-2-7-9-10-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyUAFZJUXEIFAONB-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (propyldisulfanyl)cyclopentane?
The IUPAC name of (propyldisulfanyl)cyclopentane (CID 10171282) is (propyldisulfanyl)cyclopentane.
What is the SMILES notation for (propyldisulfanyl)cyclopentane?
The canonical SMILES for (propyldisulfanyl)cyclopentane is CCCSSC1CCCC1.
What is the InChIKey of (propyldisulfanyl)cyclopentane?
The InChIKey is UAFZJUXEIFAONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c1-2-7-9-10-8-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of (propyldisulfanyl)cyclopentane?
(propyldisulfanyl)cyclopentane has a molecular weight of 176.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (propyldisulfanyl)cyclopentane is sourced from PubChem (CID 10171282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).