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

C10H22O7S4 — CID 22174344

IUPACmethyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane
SMILESCS(=O)(=S)OCCOCCOCCOCCOS(C)(=O)=S
InChIInChI=1S/C10H22O7S4/c1-20(11,18)16-9-7-14-5-3-13-4-6-15-8-10-17-21(2,12)19/h3-10H2,1-2H3
InChIKeyVTNOLTAEWMKMOW-UHFFFAOYSA-N
MW382.55 g/mol
LogP-0.35
Rot. Bonds14

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

methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane (PubChem CID 22174344) has the molecular formula C10H22O7S4 and a molecular weight of 382.55 g/mol. Its IUPAC name is methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namemethyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane
PubChem CID22174344
Molecular FormulaC10H22O7S4
Molecular Weight382.55 g/mol
Exact Mass382.02
IUPAC Namemethyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane
SMILESCS(=O)(=S)OCCOCCOCCOCCOS(C)(=O)=S
InChIInChI=1S/C10H22O7S4/c1-20(11,18)16-9-7-14-5-3-13-4-6-15-8-10-17-21(2,12)19/h3-10H2,1-2H3
InChIKeyVTNOLTAEWMKMOW-UHFFFAOYSA-N
XLogP-0.35
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654
5-methylsulfonothioyloxypentan-1-amine;hydrobromide
CID 57349176
2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 172605839
methyl-oxo-prop-2-ynoxy-sulfanylidene-λ6-sulfane
CID 53471718
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045107
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 155982389
2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013927
2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013877

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane (CID 22174344) is methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane is CS(=O)(=S)OCCOCCOCCOCCOS(C)(=O)=S.
What is the InChIKey of methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is VTNOLTAEWMKMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7S4/c1-20(11,18)16-9-7-14-5-3-13-4-6-15-8-10-17-21(2,12)19/h3-10H2,1-2H3.
What are the key properties of methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane?
methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 382.55 g/mol, XLogP of -0.35, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 22174344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).