(ethylpentasulfanyl)ethane

C4H10S5 — CID 528710

IUPAC(ethylpentasulfanyl)ethane
SMILESCCSSSSSCC
InChIInChI=1S/C4H10S5/c1-3-5-7-9-8-6-4-2/h3-4H2,1-2H3
InChIKeyAZJUIUPNFDKSHM-UHFFFAOYSA-N
MW218.46 g/mol
LogP4.35
Rot. Bonds6

About (ethylpentasulfanyl)ethane

(ethylpentasulfanyl)ethane (PubChem CID 528710) has the molecular formula C4H10S5 and a molecular weight of 218.46 g/mol. Its IUPAC name is (ethylpentasulfanyl)ethane.

Molecular Properties

Compound Name(ethylpentasulfanyl)ethane
PubChem CID528710
Molecular FormulaC4H10S5
Molecular Weight218.46 g/mol
Exact Mass217.94
IUPAC Name(ethylpentasulfanyl)ethane
SMILESCCSSSSSCC
InChIInChI=1S/C4H10S5/c1-3-5-7-9-8-6-4-2/h3-4H2,1-2H3
InChIKeyAZJUIUPNFDKSHM-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (ethylpentasulfanyl)ethane?
The IUPAC name of (ethylpentasulfanyl)ethane (CID 528710) is (ethylpentasulfanyl)ethane.
What is the SMILES notation for (ethylpentasulfanyl)ethane?
The canonical SMILES for (ethylpentasulfanyl)ethane is CCSSSSSCC.
What is the InChIKey of (ethylpentasulfanyl)ethane?
The InChIKey is AZJUIUPNFDKSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S5/c1-3-5-7-9-8-6-4-2/h3-4H2,1-2H3.
What are the key properties of (ethylpentasulfanyl)ethane?
(ethylpentasulfanyl)ethane has a molecular weight of 218.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylpentasulfanyl)ethane is sourced from PubChem (CID 528710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).