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

C2H6OS21 — CID 118120951

IUPACethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane
SMILESCCOS(=S)(=S)SSSSSSSSSSSSSSSSSS
InChIInChI=1S/C2H6OS21/c1-2-3-24(5,6)23-22-21-20-19-18-17-16-15-14-13-12-11-10-9-8-7-4/h4H,2H2,1H3
InChIKeyBYFOTMCXLKGMPI-UHFFFAOYSA-N
MW719.48 g/mol
LogP11.88
Rot. Bonds19

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

ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane (PubChem CID 118120951) has the molecular formula C2H6OS21 and a molecular weight of 719.48 g/mol. Its IUPAC name is ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Nameethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane
PubChem CID118120951
Molecular FormulaC2H6OS21
Molecular Weight719.48 g/mol
Exact Mass717.46
IUPAC Nameethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane
SMILESCCOS(=S)(=S)SSSSSSSSSSSSSSSSSS
InChIInChI=1S/C2H6OS21/c1-2-3-24(5,6)23-22-21-20-19-18-17-16-15-14-13-12-11-10-9-8-7-4/h4H,2H2,1H3
InChIKeyBYFOTMCXLKGMPI-UHFFFAOYSA-N
XLogP11.88
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500719.48
LogP ≤ 511.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane (CID 118120951) is ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane is CCOS(=S)(=S)SSSSSSSSSSSSSSSSSS.
What is the InChIKey of ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is BYFOTMCXLKGMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS21/c1-2-3-24(5,6)23-22-21-20-19-18-17-16-15-14-13-12-11-10-9-8-7-4/h4H,2H2,1H3.
What are the key properties of ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane?
ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 719.48 g/mol, XLogP of 11.88, 19 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 118120951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).