3,4-dimethoxy-2,5-dimethylthiolane

C8H16O2S — CID 22947094

IUPAC3,4-dimethoxy-2,5-dimethylthiolane
SMILESCOC1C(C)SC(C)C1OC
InChIInChI=1S/C8H16O2S/c1-5-7(9-3)8(10-4)6(2)11-5/h5-8H,1-4H3
InChIKeyHDNZXBHLHSZQSJ-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.54
Rot. Bonds2

About 3,4-dimethoxy-2,5-dimethylthiolane

3,4-dimethoxy-2,5-dimethylthiolane (PubChem CID 22947094) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3,4-dimethoxy-2,5-dimethylthiolane.

Molecular Properties

Compound Name3,4-dimethoxy-2,5-dimethylthiolane
PubChem CID22947094
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name3,4-dimethoxy-2,5-dimethylthiolane
SMILESCOC1C(C)SC(C)C1OC
InChIInChI=1S/C8H16O2S/c1-5-7(9-3)8(10-4)6(2)11-5/h5-8H,1-4H3
InChIKeyHDNZXBHLHSZQSJ-UHFFFAOYSA-N
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2,5-dimethylthiolane?
The IUPAC name of 3,4-dimethoxy-2,5-dimethylthiolane (CID 22947094) is 3,4-dimethoxy-2,5-dimethylthiolane.
What is the SMILES notation for 3,4-dimethoxy-2,5-dimethylthiolane?
The canonical SMILES for 3,4-dimethoxy-2,5-dimethylthiolane is COC1C(C)SC(C)C1OC.
What is the InChIKey of 3,4-dimethoxy-2,5-dimethylthiolane?
The InChIKey is HDNZXBHLHSZQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-5-7(9-3)8(10-4)6(2)11-5/h5-8H,1-4H3.
What are the key properties of 3,4-dimethoxy-2,5-dimethylthiolane?
3,4-dimethoxy-2,5-dimethylthiolane has a molecular weight of 176.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2,5-dimethylthiolane is sourced from PubChem (CID 22947094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).