2-(furan-2-yl)thiochromen-4-one

C13H8O2S — CID 154715436

IUPAC2-(furan-2-yl)thiochromen-4-one
SMILESO=c1cc(-c2ccco2)sc2ccccc12
InChIInChI=1S/C13H8O2S/c14-10-8-13(11-5-3-7-15-11)16-12-6-2-1-4-9(10)12/h1-8H
InChIKeyKZYIVDUABWFTRP-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.52
Rot. Bonds1

About 2-(furan-2-yl)thiochromen-4-one

2-(furan-2-yl)thiochromen-4-one (PubChem CID 154715436) has the molecular formula C13H8O2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(furan-2-yl)thiochromen-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)thiochromen-4-one
PubChem CID154715436
Molecular FormulaC13H8O2S
Molecular Weight228.27 g/mol
Exact Mass228.02
IUPAC Name2-(furan-2-yl)thiochromen-4-one
SMILESO=c1cc(-c2ccco2)sc2ccccc12
InChIInChI=1S/C13H8O2S/c14-10-8-13(11-5-3-7-15-11)16-12-6-2-1-4-9(10)12/h1-8H
InChIKeyKZYIVDUABWFTRP-UHFFFAOYSA-N
XLogP3.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(furan-2-yl)thiochromen-4-one 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-(furan-2-yl)thiochromen-4-one?
The IUPAC name of 2-(furan-2-yl)thiochromen-4-one (CID 154715436) is 2-(furan-2-yl)thiochromen-4-one.
What is the SMILES notation for 2-(furan-2-yl)thiochromen-4-one?
The canonical SMILES for 2-(furan-2-yl)thiochromen-4-one is O=c1cc(-c2ccco2)sc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)thiochromen-4-one?
The InChIKey is KZYIVDUABWFTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S/c14-10-8-13(11-5-3-7-15-11)16-12-6-2-1-4-9(10)12/h1-8H.
What are the key properties of 2-(furan-2-yl)thiochromen-4-one?
2-(furan-2-yl)thiochromen-4-one has a molecular weight of 228.27 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)thiochromen-4-one is sourced from PubChem (CID 154715436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).