1-butylsulfinylbutane

C8H18OS — CID 16568

IUPAC1-butylsulfinylbutane
SMILESCCCCS(=O)CCCC
InChIInChI=1S/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChIKeyLOWMYOWHQMKBTM-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.34
Rot. Bonds6

About 1-butylsulfinylbutane

1-butylsulfinylbutane (PubChem CID 16568) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-butylsulfinylbutane.

Molecular Properties

Compound Name1-butylsulfinylbutane
PubChem CID16568
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-butylsulfinylbutane
SMILESCCCCS(=O)CCCC
InChIInChI=1S/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChIKeyLOWMYOWHQMKBTM-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfinylbutane?
The IUPAC name of 1-butylsulfinylbutane (CID 16568) is 1-butylsulfinylbutane.
What is the SMILES notation for 1-butylsulfinylbutane?
The canonical SMILES for 1-butylsulfinylbutane is CCCCS(=O)CCCC.
What is the InChIKey of 1-butylsulfinylbutane?
The InChIKey is LOWMYOWHQMKBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 1-butylsulfinylbutane?
1-butylsulfinylbutane has a molecular weight of 162.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfinylbutane is sourced from PubChem (CID 16568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).