2-(methoxymethylsulfinyl)propane

C5H12O2S — CID 89072287

IUPAC2-(methoxymethylsulfinyl)propane
SMILESCOCS(=O)C(C)C
InChIInChI=1S/C5H12O2S/c1-5(2)8(6)4-7-3/h5H,4H2,1-3H3
InChIKeyOLNVHKIGMMHZBK-UHFFFAOYSA-N
MW136.22 g/mol
LogP0.75
Rot. Bonds3

About 2-(methoxymethylsulfinyl)propane

2-(methoxymethylsulfinyl)propane (PubChem CID 89072287) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is 2-(methoxymethylsulfinyl)propane.

Molecular Properties

Compound Name2-(methoxymethylsulfinyl)propane
PubChem CID89072287
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Name2-(methoxymethylsulfinyl)propane
SMILESCOCS(=O)C(C)C
InChIInChI=1S/C5H12O2S/c1-5(2)8(6)4-7-3/h5H,4H2,1-3H3
InChIKeyOLNVHKIGMMHZBK-UHFFFAOYSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylsulfinyl)propane?
The IUPAC name of 2-(methoxymethylsulfinyl)propane (CID 89072287) is 2-(methoxymethylsulfinyl)propane.
What is the SMILES notation for 2-(methoxymethylsulfinyl)propane?
The canonical SMILES for 2-(methoxymethylsulfinyl)propane is COCS(=O)C(C)C.
What is the InChIKey of 2-(methoxymethylsulfinyl)propane?
The InChIKey is OLNVHKIGMMHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S/c1-5(2)8(6)4-7-3/h5H,4H2,1-3H3.
What are the key properties of 2-(methoxymethylsulfinyl)propane?
2-(methoxymethylsulfinyl)propane has a molecular weight of 136.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylsulfinyl)propane is sourced from PubChem (CID 89072287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).