methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane

C8H18O6S4 — CID 57375736

IUPACmethyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane
SMILESCS(=O)(=S)OCCOCCOCCOS(C)(=O)=S
InChIInChI=1S/C8H18O6S4/c1-17(9,15)13-7-5-11-3-4-12-6-8-14-18(2,10)16/h3-8H2,1-2H3
InChIKeyKPBCHHUHCVAPMU-UHFFFAOYSA-N
MW338.49 g/mol
LogP-0.37
Rot. Bonds11

About methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane

methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane (PubChem CID 57375736) has the molecular formula C8H18O6S4 and a molecular weight of 338.49 g/mol. Its IUPAC name is methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namemethyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane
PubChem CID57375736
Molecular FormulaC8H18O6S4
Molecular Weight338.49 g/mol
Exact Mass338.00
IUPAC Namemethyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane
SMILESCS(=O)(=S)OCCOCCOCCOS(C)(=O)=S
InChIInChI=1S/C8H18O6S4/c1-17(9,15)13-7-5-11-3-4-12-6-8-14-18(2,10)16/h3-8H2,1-2H3
InChIKeyKPBCHHUHCVAPMU-UHFFFAOYSA-N
XLogP-0.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane (CID 57375736) is methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane is CS(=O)(=S)OCCOCCOCCOS(C)(=O)=S.
What is the InChIKey of methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is KPBCHHUHCVAPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6S4/c1-17(9,15)13-7-5-11-3-4-12-6-8-14-18(2,10)16/h3-8H2,1-2H3.
What are the key properties of methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane?
methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 338.49 g/mol, XLogP of -0.37, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 57375736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).