2-propan-2-ylsulfonylsulfanylpropane

C6H14O2S2 — CID 536432

IUPAC2-propan-2-ylsulfonylsulfanylpropane
SMILESCC(C)SS(=O)(=O)C(C)C
InChIInChI=1S/C6H14O2S2/c1-5(2)9-10(7,8)6(3)4/h5-6H,1-4H3
InChIKeyOZDMLIZXKUYGMR-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.87
Rot. Bonds3

About 2-propan-2-ylsulfonylsulfanylpropane

2-propan-2-ylsulfonylsulfanylpropane (PubChem CID 536432) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-propan-2-ylsulfonylsulfanylpropane.

Molecular Properties

Compound Name2-propan-2-ylsulfonylsulfanylpropane
PubChem CID536432
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name2-propan-2-ylsulfonylsulfanylpropane
SMILESCC(C)SS(=O)(=O)C(C)C
InChIInChI=1S/C6H14O2S2/c1-5(2)9-10(7,8)6(3)4/h5-6H,1-4H3
InChIKeyOZDMLIZXKUYGMR-UHFFFAOYSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ylsulfonylsulfanylpropane?
The IUPAC name of 2-propan-2-ylsulfonylsulfanylpropane (CID 536432) is 2-propan-2-ylsulfonylsulfanylpropane.
What is the SMILES notation for 2-propan-2-ylsulfonylsulfanylpropane?
The canonical SMILES for 2-propan-2-ylsulfonylsulfanylpropane is CC(C)SS(=O)(=O)C(C)C.
What is the InChIKey of 2-propan-2-ylsulfonylsulfanylpropane?
The InChIKey is OZDMLIZXKUYGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-5(2)9-10(7,8)6(3)4/h5-6H,1-4H3.
What are the key properties of 2-propan-2-ylsulfonylsulfanylpropane?
2-propan-2-ylsulfonylsulfanylpropane has a molecular weight of 182.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonylsulfanylpropane is sourced from PubChem (CID 536432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).