4-methyl-8H-thiopyrano[2,3-f]chromen-2-one

C13H10O2S — CID 3009439

IUPAC4-methyl-8H-thiopyrano[2,3-f]chromen-2-one
SMILESCc1cc(=O)sc2c3c(ccc12)OCC=C3
InChIInChI=1S/C13H10O2S/c1-8-7-12(14)16-13-9(8)4-5-11-10(13)3-2-6-15-11/h2-5,7H,6H2,1H3
InChIKeyKOPOAHQQWUVXKA-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.98
Rot. Bonds

About 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one

4-methyl-8H-thiopyrano[2,3-f]chromen-2-one (PubChem CID 3009439) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name4-methyl-8H-thiopyrano[2,3-f]chromen-2-one
PubChem CID3009439
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name4-methyl-8H-thiopyrano[2,3-f]chromen-2-one
SMILESCc1cc(=O)sc2c3c(ccc12)OCC=C3
InChIInChI=1S/C13H10O2S/c1-8-7-12(14)16-13-9(8)4-5-11-10(13)3-2-6-15-11/h2-5,7H,6H2,1H3
InChIKeyKOPOAHQQWUVXKA-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-8H-thiopyrano[2,3-f]chromen-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one?
The IUPAC name of 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one (CID 3009439) is 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one.
What is the SMILES notation for 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one?
The canonical SMILES for 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one is Cc1cc(=O)sc2c3c(ccc12)OCC=C3.
What is the InChIKey of 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one?
The InChIKey is KOPOAHQQWUVXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S/c1-8-7-12(14)16-13-9(8)4-5-11-10(13)3-2-6-15-11/h2-5,7H,6H2,1H3.
What are the key properties of 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one?
4-methyl-8H-thiopyrano[2,3-f]chromen-2-one has a molecular weight of 230.29 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8H-thiopyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 3009439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).