(2S,3S)-3-(methoxymethoxy)-2-propylthiolane

C9H18O2S — CID 10330174

IUPAC(2S,3S)-3-(methoxymethoxy)-2-propylthiolane
SMILESCCC[C@@H]1SCC[C@@H]1OCOC
InChIInChI=1S/C9H18O2S/c1-3-4-9-8(5-6-12-9)11-7-10-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyGUBXZKQLQLTKMD-IUCAKERBSA-N
MW190.31 g/mol
LogP2.28
Rot. Bonds5

About (2S,3S)-3-(methoxymethoxy)-2-propylthiolane

(2S,3S)-3-(methoxymethoxy)-2-propylthiolane (PubChem CID 10330174) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is (2S,3S)-3-(methoxymethoxy)-2-propylthiolane.

Molecular Properties

Compound Name(2S,3S)-3-(methoxymethoxy)-2-propylthiolane
PubChem CID10330174
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name(2S,3S)-3-(methoxymethoxy)-2-propylthiolane
SMILESCCC[C@@H]1SCC[C@@H]1OCOC
InChIInChI=1S/C9H18O2S/c1-3-4-9-8(5-6-12-9)11-7-10-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyGUBXZKQLQLTKMD-IUCAKERBSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(methoxymethoxy)-2-propylthiolane?
The IUPAC name of (2S,3S)-3-(methoxymethoxy)-2-propylthiolane (CID 10330174) is (2S,3S)-3-(methoxymethoxy)-2-propylthiolane.
What is the SMILES notation for (2S,3S)-3-(methoxymethoxy)-2-propylthiolane?
The canonical SMILES for (2S,3S)-3-(methoxymethoxy)-2-propylthiolane is CCC[C@@H]1SCC[C@@H]1OCOC.
What is the InChIKey of (2S,3S)-3-(methoxymethoxy)-2-propylthiolane?
The InChIKey is GUBXZKQLQLTKMD-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18O2S/c1-3-4-9-8(5-6-12-9)11-7-10-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-(methoxymethoxy)-2-propylthiolane?
(2S,3S)-3-(methoxymethoxy)-2-propylthiolane has a molecular weight of 190.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(methoxymethoxy)-2-propylthiolane is sourced from PubChem (CID 10330174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).