ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane

C2H6OS4 — CID 89415904

IUPACethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane
SMILESCCOS(=S)(=S)S
InChIInChI=1S/C2H6OS4/c1-2-3-7(4,5)6/h2H2,1H3,(H,4,5,6)
InChIKeyWNKGRFKJBOFLLC-UHFFFAOYSA-N
MW174.34 g/mol
LogP0.86
Rot. Bonds2

About ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane

ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane (PubChem CID 89415904) has the molecular formula C2H6OS4 and a molecular weight of 174.34 g/mol. Its IUPAC name is ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Nameethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane
PubChem CID89415904
Molecular FormulaC2H6OS4
Molecular Weight174.34 g/mol
Exact Mass173.93
IUPAC Nameethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane
SMILESCCOS(=S)(=S)S
InChIInChI=1S/C2H6OS4/c1-2-3-7(4,5)6/h2H2,1H3,(H,4,5,6)
InChIKeyWNKGRFKJBOFLLC-UHFFFAOYSA-N
XLogP0.86
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane (CID 89415904) is ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane is CCOS(=S)(=S)S.
What is the InChIKey of ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is WNKGRFKJBOFLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS4/c1-2-3-7(4,5)6/h2H2,1H3,(H,4,5,6).
What are the key properties of ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane?
ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 174.34 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-sulfanyl-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 89415904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).