1-propylsulfonylsulfonylpropane

C6H14O4S2 — CID 13024320

IUPAC1-propylsulfonylsulfonylpropane
SMILESCCCS(=O)(=O)S(=O)(=O)CCC
InChIInChI=1S/C6H14O4S2/c1-3-5-11(7,8)12(9,10)6-4-2/h3-6H2,1-2H3
InChIKeyCRJVBTGIEJNJPM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.55
Rot. Bonds5

About 1-propylsulfonylsulfonylpropane

1-propylsulfonylsulfonylpropane (PubChem CID 13024320) has the molecular formula C6H14O4S2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-propylsulfonylsulfonylpropane.

Molecular Properties

Compound Name1-propylsulfonylsulfonylpropane
PubChem CID13024320
Molecular FormulaC6H14O4S2
Molecular Weight214.31 g/mol
Exact Mass214.03
IUPAC Name1-propylsulfonylsulfonylpropane
SMILESCCCS(=O)(=O)S(=O)(=O)CCC
InChIInChI=1S/C6H14O4S2/c1-3-5-11(7,8)12(9,10)6-4-2/h3-6H2,1-2H3
InChIKeyCRJVBTGIEJNJPM-UHFFFAOYSA-N
XLogP0.55
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylsulfonylpropane?
The IUPAC name of 1-propylsulfonylsulfonylpropane (CID 13024320) is 1-propylsulfonylsulfonylpropane.
What is the SMILES notation for 1-propylsulfonylsulfonylpropane?
The canonical SMILES for 1-propylsulfonylsulfonylpropane is CCCS(=O)(=O)S(=O)(=O)CCC.
What is the InChIKey of 1-propylsulfonylsulfonylpropane?
The InChIKey is CRJVBTGIEJNJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4S2/c1-3-5-11(7,8)12(9,10)6-4-2/h3-6H2,1-2H3.
What are the key properties of 1-propylsulfonylsulfonylpropane?
1-propylsulfonylsulfonylpropane has a molecular weight of 214.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylsulfonylpropane is sourced from PubChem (CID 13024320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).