2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol

C7H16O4S2 — CID 63658130

IUPAC2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol
SMILESCS(=O)(=O)CCSCCOCCO
InChIInChI=1S/C7H16O4S2/c1-13(9,10)7-6-12-5-4-11-3-2-8/h8H,2-7H2,1H3
InChIKeyWJOADKWONARUNM-UHFFFAOYSA-N
MW228.33 g/mol
LogP-0.23
Rot. Bonds8

About 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol

2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol (PubChem CID 63658130) has the molecular formula C7H16O4S2 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol
PubChem CID63658130
Molecular FormulaC7H16O4S2
Molecular Weight228.33 g/mol
Exact Mass228.05
IUPAC Name2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol
SMILESCS(=O)(=O)CCSCCOCCO
InChIInChI=1S/C7H16O4S2/c1-13(9,10)7-6-12-5-4-11-3-2-8/h8H,2-7H2,1H3
InChIKeyWJOADKWONARUNM-UHFFFAOYSA-N
XLogP-0.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propylsulfanylethoxy)ethanol
CID 61074993
6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
CID 103736336
methyl 3-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoate
CID 61076958
2-(2-butylsulfanylethoxy)ethanol
CID 3743869
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol
CID 20788584
2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol
CID 100932601
2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
CID 58517140
2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol
CID 63237785
2-ethoxyethanol;sulfuric acid
CID 87749123
2-(2-ethylsulfanylethoxy)ethanesulfonic acid
CID 140919026
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol (CID 63658130) is 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol is CS(=O)(=O)CCSCCOCCO.
What is the InChIKey of 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol?
The InChIKey is WJOADKWONARUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4S2/c1-13(9,10)7-6-12-5-4-11-3-2-8/h8H,2-7H2,1H3.
What are the key properties of 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol?
2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol has a molecular weight of 228.33 g/mol, XLogP of -0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol is sourced from PubChem (CID 63658130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).