thieno[2,3-g]chromen-6-one

C11H6O2S — CID 58114429

IUPACthieno[2,3-g]chromen-6-one
SMILESO=c1ccc2cc3sccc3cc2o1
InChIInChI=1S/C11H6O2S/c12-11-2-1-7-6-10-8(3-4-14-10)5-9(7)13-11/h1-6H
InChIKeyKEFCZNPHIIFUPE-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.01
Rot. Bonds

About thieno[2,3-g]chromen-6-one

thieno[2,3-g]chromen-6-one (PubChem CID 58114429) has the molecular formula C11H6O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is thieno[2,3-g]chromen-6-one.

Molecular Properties

Compound Namethieno[2,3-g]chromen-6-one
PubChem CID58114429
Molecular FormulaC11H6O2S
Molecular Weight202.23 g/mol
Exact Mass202.01
IUPAC Namethieno[2,3-g]chromen-6-one
SMILESO=c1ccc2cc3sccc3cc2o1
InChIInChI=1S/C11H6O2S/c12-11-2-1-7-6-10-8(3-4-14-10)5-9(7)13-11/h1-6H
InChIKeyKEFCZNPHIIFUPE-UHFFFAOYSA-N
XLogP3.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze thieno[2,3-g]chromen-6-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 thieno[2,3-g]chromen-6-one?
The IUPAC name of thieno[2,3-g]chromen-6-one (CID 58114429) is thieno[2,3-g]chromen-6-one.
What is the SMILES notation for thieno[2,3-g]chromen-6-one?
The canonical SMILES for thieno[2,3-g]chromen-6-one is O=c1ccc2cc3sccc3cc2o1.
What is the InChIKey of thieno[2,3-g]chromen-6-one?
The InChIKey is KEFCZNPHIIFUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O2S/c12-11-2-1-7-6-10-8(3-4-14-10)5-9(7)13-11/h1-6H.
What are the key properties of thieno[2,3-g]chromen-6-one?
thieno[2,3-g]chromen-6-one has a molecular weight of 202.23 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-g]chromen-6-one is sourced from PubChem (CID 58114429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).