2-propan-2-ylsulfinylsulfanylpropane

C6H14OS2 — CID 10103524

IUPAC2-propan-2-ylsulfinylsulfanylpropane
SMILESCC(C)SS(=O)C(C)C
InChIInChI=1S/C6H14OS2/c1-5(2)8-9(7)6(3)4/h5-6H,1-4H3
InChIKeyIYZLJTJFIUHNRL-UHFFFAOYSA-N
MW166.31 g/mol
LogP2.20
Rot. Bonds3

About 2-propan-2-ylsulfinylsulfanylpropane

2-propan-2-ylsulfinylsulfanylpropane (PubChem CID 10103524) has the molecular formula C6H14OS2 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-propan-2-ylsulfinylsulfanylpropane.

Molecular Properties

Compound Name2-propan-2-ylsulfinylsulfanylpropane
PubChem CID10103524
Molecular FormulaC6H14OS2
Molecular Weight166.31 g/mol
Exact Mass166.05
IUPAC Name2-propan-2-ylsulfinylsulfanylpropane
SMILESCC(C)SS(=O)C(C)C
InChIInChI=1S/C6H14OS2/c1-5(2)8-9(7)6(3)4/h5-6H,1-4H3
InChIKeyIYZLJTJFIUHNRL-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfinylsulfanylpropane?
The IUPAC name of 2-propan-2-ylsulfinylsulfanylpropane (CID 10103524) is 2-propan-2-ylsulfinylsulfanylpropane.
What is the SMILES notation for 2-propan-2-ylsulfinylsulfanylpropane?
The canonical SMILES for 2-propan-2-ylsulfinylsulfanylpropane is CC(C)SS(=O)C(C)C.
What is the InChIKey of 2-propan-2-ylsulfinylsulfanylpropane?
The InChIKey is IYZLJTJFIUHNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS2/c1-5(2)8-9(7)6(3)4/h5-6H,1-4H3.
What are the key properties of 2-propan-2-ylsulfinylsulfanylpropane?
2-propan-2-ylsulfinylsulfanylpropane has a molecular weight of 166.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinylsulfanylpropane is sourced from PubChem (CID 10103524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).