2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol

C11H16O4S2 — CID 63237785

IUPAC2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol
SMILESCS(=O)(=O)c1ccc(SCCOCCO)cc1
InChIInChI=1S/C11H16O4S2/c1-17(13,14)11-4-2-10(3-5-11)16-9-8-15-7-6-12/h2-5,12H,6-9H2,1H3
InChIKeyMXSSKCZTDCSNKZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.19
Rot. Bonds7

About 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol

2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol (PubChem CID 63237785) has the molecular formula C11H16O4S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol
PubChem CID63237785
Molecular FormulaC11H16O4S2
Molecular Weight276.38 g/mol
Exact Mass276.05
IUPAC Name2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol
SMILESCS(=O)(=O)c1ccc(SCCOCCO)cc1
InChIInChI=1S/C11H16O4S2/c1-17(13,14)11-4-2-10(3-5-11)16-9-8-15-7-6-12/h2-5,12H,6-9H2,1H3
InChIKeyMXSSKCZTDCSNKZ-UHFFFAOYSA-N
XLogP1.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.19
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-(4-tert-butylphenyl)sulfanylethoxy]ethanol
CID 61076775
2-[4-[2-(2-hydroxyethoxy)ethylsulfanyl]phenyl]acetic acid
CID 64926986
2-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]ethoxy]ethanol
CID 56805727
methyl 4-(4-methylsulfonylphenyl)sulfanylbutanoate
CID 62403473
2-(methylamino)-4-(4-methylsulfonylphenyl)sulfanylbutan-1-ol
CID 64808217
ethyl 2-amino-2-methyl-4-(4-methylsulfonylphenyl)sulfanylbutanoate
CID 63237881
2-methoxy-N-[2-(4-methylsulfonylphenyl)sulfanylethyl]ethanamine
CID 55174053
(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol
CID 106933378
2-amino-2-methyl-6-(4-methylsulfonylphenyl)sulfanylhexanoic acid
CID 63237752
3-(methylamino)-4-(4-methylsulfonylphenyl)sulfanylbutan-1-ol
CID 64929920
methyl 2-(ethylamino)-4-(4-methylsulfonylphenyl)sulfanylbutanoate
CID 63237839
N',N'-dimethyl-N-[2-(4-methylsulfonylphenyl)sulfanylethyl]propane-1,3-diamine
CID 63238894

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol?
The IUPAC name of 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol (CID 63237785) is 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol?
The canonical SMILES for 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol is CS(=O)(=O)c1ccc(SCCOCCO)cc1.
What is the InChIKey of 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol?
The InChIKey is MXSSKCZTDCSNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S2/c1-17(13,14)11-4-2-10(3-5-11)16-9-8-15-7-6-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol?
2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol has a molecular weight of 276.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfonylphenyl)sulfanylethoxy]ethanol is sourced from PubChem (CID 63237785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).