2-(2-butylsulfonylethylsulfanyl)ethanol

C8H18O3S2 — CID 45490127

IUPAC2-(2-butylsulfonylethylsulfanyl)ethanol
SMILESCCCCS(=O)(=O)CCSCCO
InChIInChI=1S/C8H18O3S2/c1-2-3-7-13(10,11)8-6-12-5-4-9/h9H,2-8H2,1H3
InChIKeyGZQKZBLBTOBOIN-UHFFFAOYSA-N
MW226.36 g/mol
LogP0.93
Rot. Bonds8

About 2-(2-butylsulfonylethylsulfanyl)ethanol

2-(2-butylsulfonylethylsulfanyl)ethanol (PubChem CID 45490127) has the molecular formula C8H18O3S2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(2-butylsulfonylethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-butylsulfonylethylsulfanyl)ethanol
PubChem CID45490127
Molecular FormulaC8H18O3S2
Molecular Weight226.36 g/mol
Exact Mass226.07
IUPAC Name2-(2-butylsulfonylethylsulfanyl)ethanol
SMILESCCCCS(=O)(=O)CCSCCO
InChIInChI=1S/C8H18O3S2/c1-2-3-7-13(10,11)8-6-12-5-4-9/h9H,2-8H2,1H3
InChIKeyGZQKZBLBTOBOIN-UHFFFAOYSA-N
XLogP0.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butylsulfonylbutan-1-ol
CID 12943305
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
2-pentadecylsulfanylethanol
CID 13120338
1-chloro-3-(2-propylsulfonylethylsulfanyl)propane
CID 106736039
1-octylsulfonylnonane
CID 19089492
3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol
CID 106310342
octylsulfonylmethanol
CID 71381698
3-butylsulfonylpropan-1-amine
CID 43615632
bis(butane-1-sulfonic acid);propane-1,3-diol
CID 87128692
2-(3-butoxypropylsulfanyl)ethanol
CID 57261979
4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
5-ethylsulfonylpentan-1-ol
CID 62353355

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylsulfonylethylsulfanyl)ethanol?
The IUPAC name of 2-(2-butylsulfonylethylsulfanyl)ethanol (CID 45490127) is 2-(2-butylsulfonylethylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-butylsulfonylethylsulfanyl)ethanol?
The canonical SMILES for 2-(2-butylsulfonylethylsulfanyl)ethanol is CCCCS(=O)(=O)CCSCCO.
What is the InChIKey of 2-(2-butylsulfonylethylsulfanyl)ethanol?
The InChIKey is GZQKZBLBTOBOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S2/c1-2-3-7-13(10,11)8-6-12-5-4-9/h9H,2-8H2,1H3.
What are the key properties of 2-(2-butylsulfonylethylsulfanyl)ethanol?
2-(2-butylsulfonylethylsulfanyl)ethanol has a molecular weight of 226.36 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylsulfonylethylsulfanyl)ethanol is sourced from PubChem (CID 45490127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).