1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane

C10H22O7S4 — CID 5047788

IUPAC1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane
SMILESCS(=O)(=O)SCCOCCOCCOCCSS(C)(=O)=O
InChIInChI=1S/C10H22O7S4/c1-20(11,12)18-9-7-16-5-3-15-4-6-17-8-10-19-21(2,13)14/h3-10H2,1-2H3
InChIKeyLLRBHDIGMOPFRA-UHFFFAOYSA-N
MW382.55 g/mol
LogP0.42
Rot. Bonds14

About 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane

1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane (PubChem CID 5047788) has the molecular formula C10H22O7S4 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane
PubChem CID5047788
Molecular FormulaC10H22O7S4
Molecular Weight382.55 g/mol
Exact Mass382.02
IUPAC Name1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane
SMILESCS(=O)(=O)SCCOCCOCCOCCSS(C)(=O)=O
InChIInChI=1S/C10H22O7S4/c1-20(11,12)18-9-7-16-5-3-15-4-6-17-8-10-19-21(2,13)14/h3-10H2,1-2H3
InChIKeyLLRBHDIGMOPFRA-UHFFFAOYSA-N
XLogP0.42
TPSA95.97 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 ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane with MolForge

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

Launch Full Analysis

Related Compounds

1,2-bis(methylsulfonylsulfanyl)ethane
CID 564320
sodium 1-ethoxy-2-[2-(2-sulfonatosulfanylethoxy)ethoxy]ethane
CID 140834460
CID 171042466
CID 171042466
3-methyl-3-(2-methylsulfonylsulfanylethyl)diazirine
CID 154701091
triethyl(2-methylsulfonylsulfanylethyl)azanium bromide
CID 71752722
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane
CID 22174344
methylsulfonylsulfanylmethanamine
CID 4133024
2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol
CID 63658130
S-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethyl] ethanethioate
CID 132596097
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane?
The IUPAC name of 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane (CID 5047788) is 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane.
What is the SMILES notation for 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane?
The canonical SMILES for 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane is CS(=O)(=O)SCCOCCOCCOCCSS(C)(=O)=O.
What is the InChIKey of 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane?
The InChIKey is LLRBHDIGMOPFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7S4/c1-20(11,12)18-9-7-16-5-3-15-4-6-17-8-10-19-21(2,13)14/h3-10H2,1-2H3.
What are the key properties of 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane?
1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane has a molecular weight of 382.55 g/mol, XLogP of 0.42, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylsulfanylethoxy)-2-[2-(2-methylsulfonylsulfanylethoxy)ethoxy]ethane is sourced from PubChem (CID 5047788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).