(ethyldisulfanyl)ethane

C4H10S2 — CID 8077

IUPAC(ethyldisulfanyl)ethane
SMILESCCSSCC
InChIInChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
InChIKeyCETBSQOFQKLHHZ-UHFFFAOYSA-N
MW122.26 g/mol
LogP2.41
Rot. Bonds3

About (ethyldisulfanyl)ethane

(ethyldisulfanyl)ethane (PubChem CID 8077) has the molecular formula C4H10S2 and a molecular weight of 122.26 g/mol. Its IUPAC name is (ethyldisulfanyl)ethane.

Molecular Properties

Compound Name(ethyldisulfanyl)ethane
PubChem CID8077
Molecular FormulaC4H10S2
Molecular Weight122.26 g/mol
Exact Mass122.02
IUPAC Name(ethyldisulfanyl)ethane
SMILESCCSSCC
InChIInChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
InChIKeyCETBSQOFQKLHHZ-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.26
LogP ≤ 52.41
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 (ethyldisulfanyl)ethane?
The IUPAC name of (ethyldisulfanyl)ethane (CID 8077) is (ethyldisulfanyl)ethane.
What is the SMILES notation for (ethyldisulfanyl)ethane?
The canonical SMILES for (ethyldisulfanyl)ethane is CCSSCC.
What is the InChIKey of (ethyldisulfanyl)ethane?
The InChIKey is CETBSQOFQKLHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3.
What are the key properties of (ethyldisulfanyl)ethane?
(ethyldisulfanyl)ethane has a molecular weight of 122.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (ethyldisulfanyl)ethane is sourced from PubChem (CID 8077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).