2-[[(S)-methylsulfinyl]methyl]oxolane

C6H12O2S — CID 11126428

IUPAC2-[[(S)-methylsulfinyl]methyl]oxolane
SMILESC[S@](=O)CC1CCCO1
InChIInChI=1S/C6H12O2S/c1-9(7)5-6-3-2-4-8-6/h6H,2-5H2,1H3/t6?,9-/m0/s1
InChIKeyWYWZVNWPUSRJDL-HSOSERFQSA-N
MW148.23 g/mol
LogP0.54
Rot. Bonds2

About 2-[[(S)-methylsulfinyl]methyl]oxolane

2-[[(S)-methylsulfinyl]methyl]oxolane (PubChem CID 11126428) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-[[(S)-methylsulfinyl]methyl]oxolane.

Molecular Properties

Compound Name2-[[(S)-methylsulfinyl]methyl]oxolane
PubChem CID11126428
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-[[(S)-methylsulfinyl]methyl]oxolane
SMILESC[S@](=O)CC1CCCO1
InChIInChI=1S/C6H12O2S/c1-9(7)5-6-3-2-4-8-6/h6H,2-5H2,1H3/t6?,9-/m0/s1
InChIKeyWYWZVNWPUSRJDL-HSOSERFQSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-methylsulfinyl]methyl]oxolane?
The IUPAC name of 2-[[(S)-methylsulfinyl]methyl]oxolane (CID 11126428) is 2-[[(S)-methylsulfinyl]methyl]oxolane.
What is the SMILES notation for 2-[[(S)-methylsulfinyl]methyl]oxolane?
The canonical SMILES for 2-[[(S)-methylsulfinyl]methyl]oxolane is C[S@](=O)CC1CCCO1.
What is the InChIKey of 2-[[(S)-methylsulfinyl]methyl]oxolane?
The InChIKey is WYWZVNWPUSRJDL-HSOSERFQSA-N. The full InChI is InChI=1S/C6H12O2S/c1-9(7)5-6-3-2-4-8-6/h6H,2-5H2,1H3/t6?,9-/m0/s1.
What are the key properties of 2-[[(S)-methylsulfinyl]methyl]oxolane?
2-[[(S)-methylsulfinyl]methyl]oxolane has a molecular weight of 148.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-methylsulfinyl]methyl]oxolane is sourced from PubChem (CID 11126428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).