1-(2-methylsulfinylethylsulfanyl)pentane

C8H18OS2 — CID 14024920

IUPAC1-(2-methylsulfinylethylsulfanyl)pentane
SMILESCCCCCSCCS(C)=O
InChIInChI=1S/C8H18OS2/c1-3-4-5-6-10-7-8-11(2)9/h3-8H2,1-2H3
InChIKeyCJYHTLYIUVZPCJ-UHFFFAOYSA-N
MW194.36 g/mol
LogP2.29
Rot. Bonds7

About 1-(2-methylsulfinylethylsulfanyl)pentane

1-(2-methylsulfinylethylsulfanyl)pentane (PubChem CID 14024920) has the molecular formula C8H18OS2 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-(2-methylsulfinylethylsulfanyl)pentane.

Molecular Properties

Compound Name1-(2-methylsulfinylethylsulfanyl)pentane
PubChem CID14024920
Molecular FormulaC8H18OS2
Molecular Weight194.36 g/mol
Exact Mass194.08
IUPAC Name1-(2-methylsulfinylethylsulfanyl)pentane
SMILESCCCCCSCCS(C)=O
InChIInChI=1S/C8H18OS2/c1-3-4-5-6-10-7-8-11(2)9/h3-8H2,1-2H3
InChIKeyCJYHTLYIUVZPCJ-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 52.29
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-(2-methylsulfinylethylsulfanyl)pentane?
The IUPAC name of 1-(2-methylsulfinylethylsulfanyl)pentane (CID 14024920) is 1-(2-methylsulfinylethylsulfanyl)pentane.
What is the SMILES notation for 1-(2-methylsulfinylethylsulfanyl)pentane?
The canonical SMILES for 1-(2-methylsulfinylethylsulfanyl)pentane is CCCCCSCCS(C)=O.
What is the InChIKey of 1-(2-methylsulfinylethylsulfanyl)pentane?
The InChIKey is CJYHTLYIUVZPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS2/c1-3-4-5-6-10-7-8-11(2)9/h3-8H2,1-2H3.
What are the key properties of 1-(2-methylsulfinylethylsulfanyl)pentane?
1-(2-methylsulfinylethylsulfanyl)pentane has a molecular weight of 194.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylethylsulfanyl)pentane is sourced from PubChem (CID 14024920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).