2-cyclopentyl-1,3-oxathiole

C8H12OS — CID 173170521

IUPAC2-cyclopentyl-1,3-oxathiole
SMILESC1=CSC(C2CCCC2)O1
InChIInChI=1S/C8H12OS/c1-2-4-7(3-1)8-9-5-6-10-8/h5-8H,1-4H2
InChIKeyXDGVZHMNOGZLIG-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.74
Rot. Bonds1

About 2-cyclopentyl-1,3-oxathiole

2-cyclopentyl-1,3-oxathiole (PubChem CID 173170521) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-cyclopentyl-1,3-oxathiole.

Molecular Properties

Compound Name2-cyclopentyl-1,3-oxathiole
PubChem CID173170521
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2-cyclopentyl-1,3-oxathiole
SMILESC1=CSC(C2CCCC2)O1
InChIInChI=1S/C8H12OS/c1-2-4-7(3-1)8-9-5-6-10-8/h5-8H,1-4H2
InChIKeyXDGVZHMNOGZLIG-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-1,3-oxathiole 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 2-cyclopentyl-1,3-oxathiole?
The IUPAC name of 2-cyclopentyl-1,3-oxathiole (CID 173170521) is 2-cyclopentyl-1,3-oxathiole.
What is the SMILES notation for 2-cyclopentyl-1,3-oxathiole?
The canonical SMILES for 2-cyclopentyl-1,3-oxathiole is C1=CSC(C2CCCC2)O1.
What is the InChIKey of 2-cyclopentyl-1,3-oxathiole?
The InChIKey is XDGVZHMNOGZLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-2-4-7(3-1)8-9-5-6-10-8/h5-8H,1-4H2.
What are the key properties of 2-cyclopentyl-1,3-oxathiole?
2-cyclopentyl-1,3-oxathiole has a molecular weight of 156.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,3-oxathiole is sourced from PubChem (CID 173170521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).