1-(hexylsulfinylmethylsulfinyl)hexane

C13H28O2S2 — CID 101189818

IUPAC1-(hexylsulfinylmethylsulfinyl)hexane
SMILESCCCCCCS(=O)CS(=O)CCCCCC
InChIInChI=1S/C13H28O2S2/c1-3-5-7-9-11-16(14)13-17(15)12-10-8-6-4-2/h3-13H2,1-2H3
InChIKeyHCZIOBBZTKJRMH-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.60
Rot. Bonds12

About 1-(hexylsulfinylmethylsulfinyl)hexane

1-(hexylsulfinylmethylsulfinyl)hexane (PubChem CID 101189818) has the molecular formula C13H28O2S2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(hexylsulfinylmethylsulfinyl)hexane.

Molecular Properties

Compound Name1-(hexylsulfinylmethylsulfinyl)hexane
PubChem CID101189818
Molecular FormulaC13H28O2S2
Molecular Weight280.50 g/mol
Exact Mass280.15
IUPAC Name1-(hexylsulfinylmethylsulfinyl)hexane
SMILESCCCCCCS(=O)CS(=O)CCCCCC
InChIInChI=1S/C13H28O2S2/c1-3-5-7-9-11-16(14)13-17(15)12-10-8-6-4-2/h3-13H2,1-2H3
InChIKeyHCZIOBBZTKJRMH-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(hexylsulfinylmethylsulfinyl)hexane?
The IUPAC name of 1-(hexylsulfinylmethylsulfinyl)hexane (CID 101189818) is 1-(hexylsulfinylmethylsulfinyl)hexane.
What is the SMILES notation for 1-(hexylsulfinylmethylsulfinyl)hexane?
The canonical SMILES for 1-(hexylsulfinylmethylsulfinyl)hexane is CCCCCCS(=O)CS(=O)CCCCCC.
What is the InChIKey of 1-(hexylsulfinylmethylsulfinyl)hexane?
The InChIKey is HCZIOBBZTKJRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2S2/c1-3-5-7-9-11-16(14)13-17(15)12-10-8-6-4-2/h3-13H2,1-2H3.
What are the key properties of 1-(hexylsulfinylmethylsulfinyl)hexane?
1-(hexylsulfinylmethylsulfinyl)hexane has a molecular weight of 280.50 g/mol, XLogP of 3.60, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexylsulfinylmethylsulfinyl)hexane is sourced from PubChem (CID 101189818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).