2-propan-2-ylsulfinyloxetane

C6H12O2S — CID 135031365

IUPAC2-propan-2-ylsulfinyloxetane
SMILESCC(C)S(=O)C1CCO1
InChIInChI=1S/C6H12O2S/c1-5(2)9(7)6-3-4-8-6/h5-6H,3-4H2,1-2H3
InChIKeyZOPLNCWPMUJIPV-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.89
Rot. Bonds2

About 2-propan-2-ylsulfinyloxetane

2-propan-2-ylsulfinyloxetane (PubChem CID 135031365) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-propan-2-ylsulfinyloxetane.

Molecular Properties

Compound Name2-propan-2-ylsulfinyloxetane
PubChem CID135031365
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-propan-2-ylsulfinyloxetane
SMILESCC(C)S(=O)C1CCO1
InChIInChI=1S/C6H12O2S/c1-5(2)9(7)6-3-4-8-6/h5-6H,3-4H2,1-2H3
InChIKeyZOPLNCWPMUJIPV-UHFFFAOYSA-N
XLogP0.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfinyloxetane?
The IUPAC name of 2-propan-2-ylsulfinyloxetane (CID 135031365) is 2-propan-2-ylsulfinyloxetane.
What is the SMILES notation for 2-propan-2-ylsulfinyloxetane?
The canonical SMILES for 2-propan-2-ylsulfinyloxetane is CC(C)S(=O)C1CCO1.
What is the InChIKey of 2-propan-2-ylsulfinyloxetane?
The InChIKey is ZOPLNCWPMUJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-5(2)9(7)6-3-4-8-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfinyloxetane?
2-propan-2-ylsulfinyloxetane has a molecular weight of 148.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinyloxetane is sourced from PubChem (CID 135031365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).