(ethylheptasulfanyl)ethane

C4H10S7 — CID 14123248

IUPAC(ethylheptasulfanyl)ethane
SMILESCCSSSSSSSCC
InChIInChI=1S/C4H10S7/c1-3-5-7-9-11-10-8-6-4-2/h3-4H2,1-2H3
InChIKeyMRINBAAOOXNHTL-UHFFFAOYSA-N
MW282.59 g/mol
LogP5.65
Rot. Bonds8

About (ethylheptasulfanyl)ethane

(ethylheptasulfanyl)ethane (PubChem CID 14123248) has the molecular formula C4H10S7 and a molecular weight of 282.59 g/mol. Its IUPAC name is (ethylheptasulfanyl)ethane.

Molecular Properties

Compound Name(ethylheptasulfanyl)ethane
PubChem CID14123248
Molecular FormulaC4H10S7
Molecular Weight282.59 g/mol
Exact Mass281.88
IUPAC Name(ethylheptasulfanyl)ethane
SMILESCCSSSSSSSCC
InChIInChI=1S/C4H10S7/c1-3-5-7-9-11-10-8-6-4-2/h3-4H2,1-2H3
InChIKeyMRINBAAOOXNHTL-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.59
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (ethylheptasulfanyl)ethane?
The IUPAC name of (ethylheptasulfanyl)ethane (CID 14123248) is (ethylheptasulfanyl)ethane.
What is the SMILES notation for (ethylheptasulfanyl)ethane?
The canonical SMILES for (ethylheptasulfanyl)ethane is CCSSSSSSSCC.
What is the InChIKey of (ethylheptasulfanyl)ethane?
The InChIKey is MRINBAAOOXNHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S7/c1-3-5-7-9-11-10-8-6-4-2/h3-4H2,1-2H3.
What are the key properties of (ethylheptasulfanyl)ethane?
(ethylheptasulfanyl)ethane has a molecular weight of 282.59 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylheptasulfanyl)ethane is sourced from PubChem (CID 14123248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).