thiopyrano[3,2-f][1]benzofuran-7-one

C11H6O2S — CID 10241943

IUPACthiopyrano[3,2-f][1]benzofuran-7-one
SMILESO=c1ccc2cc3ccoc3cc2s1
InChIInChI=1S/C11H6O2S/c12-11-2-1-8-5-7-3-4-13-9(7)6-10(8)14-11/h1-6H
InChIKeyVVYPNYLFCHJMMH-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.01
Rot. Bonds

About thiopyrano[3,2-f][1]benzofuran-7-one

thiopyrano[3,2-f][1]benzofuran-7-one (PubChem CID 10241943) has the molecular formula C11H6O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is thiopyrano[3,2-f][1]benzofuran-7-one.

Molecular Properties

Compound Namethiopyrano[3,2-f][1]benzofuran-7-one
PubChem CID10241943
Molecular FormulaC11H6O2S
Molecular Weight202.23 g/mol
Exact Mass202.01
IUPAC Namethiopyrano[3,2-f][1]benzofuran-7-one
SMILESO=c1ccc2cc3ccoc3cc2s1
InChIInChI=1S/C11H6O2S/c12-11-2-1-8-5-7-3-4-13-9(7)6-10(8)14-11/h1-6H
InChIKeyVVYPNYLFCHJMMH-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

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Frequently Asked Questions

What is the IUPAC name of thiopyrano[3,2-f][1]benzofuran-7-one?
The IUPAC name of thiopyrano[3,2-f][1]benzofuran-7-one (CID 10241943) is thiopyrano[3,2-f][1]benzofuran-7-one.
What is the SMILES notation for thiopyrano[3,2-f][1]benzofuran-7-one?
The canonical SMILES for thiopyrano[3,2-f][1]benzofuran-7-one is O=c1ccc2cc3ccoc3cc2s1.
What is the InChIKey of thiopyrano[3,2-f][1]benzofuran-7-one?
The InChIKey is VVYPNYLFCHJMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O2S/c12-11-2-1-8-5-7-3-4-13-9(7)6-10(8)14-11/h1-6H.
What are the key properties of thiopyrano[3,2-f][1]benzofuran-7-one?
thiopyrano[3,2-f][1]benzofuran-7-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 thiopyrano[3,2-f][1]benzofuran-7-one is sourced from PubChem (CID 10241943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).