2-[(S)-methylsulfinyl]propane

C4H10OS — CID 88911289

IUPAC2-[(S)-methylsulfinyl]propane
SMILESCC(C)[S@](C)=O
InChIInChI=1S/C4H10OS/c1-4(2)6(3)5/h4H,1-3H3/t6-/m0/s1
InChIKeyKBGDIHYLFZNUNL-LURJTMIESA-N
MW106.19 g/mol
LogP0.77
Rot. Bonds1

About 2-[(S)-methylsulfinyl]propane

2-[(S)-methylsulfinyl]propane (PubChem CID 88911289) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 2-[(S)-methylsulfinyl]propane.

Molecular Properties

Compound Name2-[(S)-methylsulfinyl]propane
PubChem CID88911289
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name2-[(S)-methylsulfinyl]propane
SMILESCC(C)[S@](C)=O
InChIInChI=1S/C4H10OS/c1-4(2)6(3)5/h4H,1-3H3/t6-/m0/s1
InChIKeyKBGDIHYLFZNUNL-LURJTMIESA-N
XLogP0.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-methylsulfinyl]propane?
The IUPAC name of 2-[(S)-methylsulfinyl]propane (CID 88911289) is 2-[(S)-methylsulfinyl]propane.
What is the SMILES notation for 2-[(S)-methylsulfinyl]propane?
The canonical SMILES for 2-[(S)-methylsulfinyl]propane is CC(C)[S@](C)=O.
What is the InChIKey of 2-[(S)-methylsulfinyl]propane?
The InChIKey is KBGDIHYLFZNUNL-LURJTMIESA-N. The full InChI is InChI=1S/C4H10OS/c1-4(2)6(3)5/h4H,1-3H3/t6-/m0/s1.
What are the key properties of 2-[(S)-methylsulfinyl]propane?
2-[(S)-methylsulfinyl]propane has a molecular weight of 106.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-methylsulfinyl]propane is sourced from PubChem (CID 88911289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).