1-propylsulfinylpropane

C6H14OS — CID 20252

IUPAC1-propylsulfinylpropane
SMILESCCCS(=O)CCC
InChIInChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3
InChIKeyBQCCJWMQESHLIT-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.56
Rot. Bonds4

About 1-propylsulfinylpropane

1-propylsulfinylpropane (PubChem CID 20252) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 1-propylsulfinylpropane.

Molecular Properties

Compound Name1-propylsulfinylpropane
PubChem CID20252
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name1-propylsulfinylpropane
SMILESCCCS(=O)CCC
InChIInChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3
InChIKeyBQCCJWMQESHLIT-UHFFFAOYSA-N
XLogP1.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfinylpropane?
The IUPAC name of 1-propylsulfinylpropane (CID 20252) is 1-propylsulfinylpropane.
What is the SMILES notation for 1-propylsulfinylpropane?
The canonical SMILES for 1-propylsulfinylpropane is CCCS(=O)CCC.
What is the InChIKey of 1-propylsulfinylpropane?
The InChIKey is BQCCJWMQESHLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3.
What are the key properties of 1-propylsulfinylpropane?
1-propylsulfinylpropane has a molecular weight of 134.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfinylpropane is sourced from PubChem (CID 20252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).