3,4-dimethoxy-2-methylthiolane

C7H14O2S — CID 22947095

IUPAC3,4-dimethoxy-2-methylthiolane
SMILESCOC1CSC(C)C1OC
InChIInChI=1S/C7H14O2S/c1-5-7(9-3)6(8-2)4-10-5/h5-7H,4H2,1-3H3
InChIKeyUTTLKTRSGPHUPE-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.15
Rot. Bonds2

About 3,4-dimethoxy-2-methylthiolane

3,4-dimethoxy-2-methylthiolane (PubChem CID 22947095) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 3,4-dimethoxy-2-methylthiolane.

Molecular Properties

Compound Name3,4-dimethoxy-2-methylthiolane
PubChem CID22947095
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name3,4-dimethoxy-2-methylthiolane
SMILESCOC1CSC(C)C1OC
InChIInChI=1S/C7H14O2S/c1-5-7(9-3)6(8-2)4-10-5/h5-7H,4H2,1-3H3
InChIKeyUTTLKTRSGPHUPE-UHFFFAOYSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-methylthiolane?
The IUPAC name of 3,4-dimethoxy-2-methylthiolane (CID 22947095) is 3,4-dimethoxy-2-methylthiolane.
What is the SMILES notation for 3,4-dimethoxy-2-methylthiolane?
The canonical SMILES for 3,4-dimethoxy-2-methylthiolane is COC1CSC(C)C1OC.
What is the InChIKey of 3,4-dimethoxy-2-methylthiolane?
The InChIKey is UTTLKTRSGPHUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-5-7(9-3)6(8-2)4-10-5/h5-7H,4H2,1-3H3.
What are the key properties of 3,4-dimethoxy-2-methylthiolane?
3,4-dimethoxy-2-methylthiolane has a molecular weight of 162.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-methylthiolane is sourced from PubChem (CID 22947095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).