1,3-dioxolane;thiolane

C7H14O2S — CID 68649021

IUPAC1,3-dioxolane;thiolane
SMILESC1CCSC1.C1COCO1
InChIInChI=1S/C4H8S.C3H6O2/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H2;1-3H2
InChIKeyYWQPFDVIOUZLSE-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.50
Rot. Bonds

About 1,3-dioxolane;thiolane

1,3-dioxolane;thiolane (PubChem CID 68649021) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 1,3-dioxolane;thiolane.

Molecular Properties

Compound Name1,3-dioxolane;thiolane
PubChem CID68649021
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name1,3-dioxolane;thiolane
SMILESC1CCSC1.C1COCO1
InChIInChI=1S/C4H8S.C3H6O2/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H2;1-3H2
InChIKeyYWQPFDVIOUZLSE-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dioxolane;thiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;thiolane?
The IUPAC name of 1,3-dioxolane;thiolane (CID 68649021) is 1,3-dioxolane;thiolane.
What is the SMILES notation for 1,3-dioxolane;thiolane?
The canonical SMILES for 1,3-dioxolane;thiolane is C1CCSC1.C1COCO1.
What is the InChIKey of 1,3-dioxolane;thiolane?
The InChIKey is YWQPFDVIOUZLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S.C3H6O2/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H2;1-3H2.
What are the key properties of 1,3-dioxolane;thiolane?
1,3-dioxolane;thiolane has a molecular weight of 162.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;thiolane is sourced from PubChem (CID 68649021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).