3-methoxy-2,4-dimethylthiolane

C7H14OS — CID 19899985

IUPAC3-methoxy-2,4-dimethylthiolane
SMILESCOC1C(C)CSC1C
InChIInChI=1S/C7H14OS/c1-5-4-9-6(2)7(5)8-3/h5-7H,4H2,1-3H3
InChIKeyXFEUWWLPCHHNBR-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.77
Rot. Bonds1

About 3-methoxy-2,4-dimethylthiolane

3-methoxy-2,4-dimethylthiolane (PubChem CID 19899985) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethylthiolane.

Molecular Properties

Compound Name3-methoxy-2,4-dimethylthiolane
PubChem CID19899985
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name3-methoxy-2,4-dimethylthiolane
SMILESCOC1C(C)CSC1C
InChIInChI=1S/C7H14OS/c1-5-4-9-6(2)7(5)8-3/h5-7H,4H2,1-3H3
InChIKeyXFEUWWLPCHHNBR-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethylthiolane?
The IUPAC name of 3-methoxy-2,4-dimethylthiolane (CID 19899985) is 3-methoxy-2,4-dimethylthiolane.
What is the SMILES notation for 3-methoxy-2,4-dimethylthiolane?
The canonical SMILES for 3-methoxy-2,4-dimethylthiolane is COC1C(C)CSC1C.
What is the InChIKey of 3-methoxy-2,4-dimethylthiolane?
The InChIKey is XFEUWWLPCHHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-5-4-9-6(2)7(5)8-3/h5-7H,4H2,1-3H3.
What are the key properties of 3-methoxy-2,4-dimethylthiolane?
3-methoxy-2,4-dimethylthiolane has a molecular weight of 146.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethylthiolane is sourced from PubChem (CID 19899985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).