1-pentylsulfanylsulfonylhexane

C11H24O2S2 — CID 89211517

IUPAC1-pentylsulfanylsulfonylhexane
SMILESCCCCCCS(=O)(=O)SCCCCC
InChIInChI=1S/C11H24O2S2/c1-3-5-7-9-11-15(12,13)14-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyHZGBJEDLIHHKAO-UHFFFAOYSA-N
MW252.44 g/mol
LogP3.82
Rot. Bonds10

About 1-pentylsulfanylsulfonylhexane

1-pentylsulfanylsulfonylhexane (PubChem CID 89211517) has the molecular formula C11H24O2S2 and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-pentylsulfanylsulfonylhexane.

Molecular Properties

Compound Name1-pentylsulfanylsulfonylhexane
PubChem CID89211517
Molecular FormulaC11H24O2S2
Molecular Weight252.44 g/mol
Exact Mass252.12
IUPAC Name1-pentylsulfanylsulfonylhexane
SMILESCCCCCCS(=O)(=O)SCCCCC
InChIInChI=1S/C11H24O2S2/c1-3-5-7-9-11-15(12,13)14-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyHZGBJEDLIHHKAO-UHFFFAOYSA-N
XLogP3.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hexylsulfonylsulfanylhexane
CID 13183990
1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
1-sulfosulfanyldodecane
CID 10357698
potassium 1-sulfonatosulfanyldodecane
CID 23710489
hexylsulfonylsulfanylmethylbenzene
CID 21134927
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
sodium;benzene;1-sulfonatosulfanyldodecane
CID 174431754
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-methylsulfonylnonane
CID 19089493
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822

Frequently Asked Questions

What is the IUPAC name of 1-pentylsulfanylsulfonylhexane?
The IUPAC name of 1-pentylsulfanylsulfonylhexane (CID 89211517) is 1-pentylsulfanylsulfonylhexane.
What is the SMILES notation for 1-pentylsulfanylsulfonylhexane?
The canonical SMILES for 1-pentylsulfanylsulfonylhexane is CCCCCCS(=O)(=O)SCCCCC.
What is the InChIKey of 1-pentylsulfanylsulfonylhexane?
The InChIKey is HZGBJEDLIHHKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S2/c1-3-5-7-9-11-15(12,13)14-10-8-6-4-2/h3-11H2,1-2H3.
What are the key properties of 1-pentylsulfanylsulfonylhexane?
1-pentylsulfanylsulfonylhexane has a molecular weight of 252.44 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylsulfanylsulfonylhexane is sourced from PubChem (CID 89211517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).