cyclobutylsulfinylcyclobutane

C8H14OS — CID 14738655

IUPACcyclobutylsulfinylcyclobutane
SMILESO=S(C1CCC1)C1CCC1
InChIInChI=1S/C8H14OS/c9-10(7-3-1-4-7)8-5-2-6-8/h7-8H,1-6H2
InChIKeyRRIIHYRXJQOLOS-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.84
Rot. Bonds2

About cyclobutylsulfinylcyclobutane

cyclobutylsulfinylcyclobutane (PubChem CID 14738655) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is cyclobutylsulfinylcyclobutane.

Molecular Properties

Compound Namecyclobutylsulfinylcyclobutane
PubChem CID14738655
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Namecyclobutylsulfinylcyclobutane
SMILESO=S(C1CCC1)C1CCC1
InChIInChI=1S/C8H14OS/c9-10(7-3-1-4-7)8-5-2-6-8/h7-8H,1-6H2
InChIKeyRRIIHYRXJQOLOS-UHFFFAOYSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutylsulfinylcyclobutane?
The IUPAC name of cyclobutylsulfinylcyclobutane (CID 14738655) is cyclobutylsulfinylcyclobutane.
What is the SMILES notation for cyclobutylsulfinylcyclobutane?
The canonical SMILES for cyclobutylsulfinylcyclobutane is O=S(C1CCC1)C1CCC1.
What is the InChIKey of cyclobutylsulfinylcyclobutane?
The InChIKey is RRIIHYRXJQOLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c9-10(7-3-1-4-7)8-5-2-6-8/h7-8H,1-6H2.
What are the key properties of cyclobutylsulfinylcyclobutane?
cyclobutylsulfinylcyclobutane has a molecular weight of 158.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylsulfinylcyclobutane is sourced from PubChem (CID 14738655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).