3-thiophen-2-yloxolan-2-one

C8H8O2S — CID 142704105

IUPAC3-thiophen-2-yloxolan-2-one
SMILESO=C1OCCC1c1cccs1
InChIInChI=1S/C8H8O2S/c9-8-6(3-4-10-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2
InChIKeyQOHFUGWLSFMEAX-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.78
Rot. Bonds1

About 3-thiophen-2-yloxolan-2-one

3-thiophen-2-yloxolan-2-one (PubChem CID 142704105) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-thiophen-2-yloxolan-2-one.

Molecular Properties

Compound Name3-thiophen-2-yloxolan-2-one
PubChem CID142704105
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name3-thiophen-2-yloxolan-2-one
SMILESO=C1OCCC1c1cccs1
InChIInChI=1S/C8H8O2S/c9-8-6(3-4-10-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2
InChIKeyQOHFUGWLSFMEAX-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-thiophen-2-yloxolan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-thiophen-2-yl-1,3-oxazolidine-2,5-dione
CID 13312725
1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione
CID 150934673
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
5-thiophen-2-ylmorpholin-3-one
CID 126971724
3-thiophen-2-ylpyrrolidine-2,5-dione
CID 67512850
1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone
CID 125480207
(5R,6S)-5-bromo-6-thiophen-2-yloxan-2-one
CID 134965227
2-thiophen-2-yloxan-3-amine
CID 79365694
5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 102085485
(3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
CID 100965101
8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 649015
(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 54262037

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yloxolan-2-one?
The IUPAC name of 3-thiophen-2-yloxolan-2-one (CID 142704105) is 3-thiophen-2-yloxolan-2-one.
What is the SMILES notation for 3-thiophen-2-yloxolan-2-one?
The canonical SMILES for 3-thiophen-2-yloxolan-2-one is O=C1OCCC1c1cccs1.
What is the InChIKey of 3-thiophen-2-yloxolan-2-one?
The InChIKey is QOHFUGWLSFMEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c9-8-6(3-4-10-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2.
What are the key properties of 3-thiophen-2-yloxolan-2-one?
3-thiophen-2-yloxolan-2-one has a molecular weight of 168.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yloxolan-2-one is sourced from PubChem (CID 142704105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).