1-ethylsulfinylbutane

C6H14OS — CID 533730

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

About 1-ethylsulfinylbutane

1-ethylsulfinylbutane (PubChem CID 533730) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 1-ethylsulfinylbutane.

Molecular Properties

Compound Name1-ethylsulfinylbutane
PubChem CID533730
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name1-ethylsulfinylbutane
SMILESCCCCS(=O)CC
InChIInChI=1S/C6H14OS/c1-3-5-6-8(7)4-2/h3-6H2,1-2H3
InChIKeyCYDQHOZLSSXJKU-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-ethylsulfinylbutane?
The IUPAC name of 1-ethylsulfinylbutane (CID 533730) is 1-ethylsulfinylbutane.
What is the SMILES notation for 1-ethylsulfinylbutane?
The canonical SMILES for 1-ethylsulfinylbutane is CCCCS(=O)CC.
What is the InChIKey of 1-ethylsulfinylbutane?
The InChIKey is CYDQHOZLSSXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-3-5-6-8(7)4-2/h3-6H2,1-2H3.
What are the key properties of 1-ethylsulfinylbutane?
1-ethylsulfinylbutane 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-ethylsulfinylbutane is sourced from PubChem (CID 533730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).