7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione

C11H8O3S — CID 165135440

IUPAC7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione
SMILESO=C1CCCc2oc(=O)c3sccc3c21
InChIInChI=1S/C11H8O3S/c12-7-2-1-3-8-9(7)6-4-5-15-10(6)11(13)14-8/h4-5H,1-3H2
InChIKeyNQVCJYPWNWJVGE-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.37
Rot. Bonds

About 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione

7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione (PubChem CID 165135440) has the molecular formula C11H8O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione.

Molecular Properties

Compound Name7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione
PubChem CID165135440
Molecular FormulaC11H8O3S
Molecular Weight220.25 g/mol
Exact Mass220.02
IUPAC Name7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione
SMILESO=C1CCCc2oc(=O)c3sccc3c21
InChIInChI=1S/C11H8O3S/c12-7-2-1-3-8-9(7)6-4-5-15-10(6)11(13)14-8/h4-5H,1-3H2
InChIKeyNQVCJYPWNWJVGE-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione?
The IUPAC name of 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione (CID 165135440) is 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione.
What is the SMILES notation for 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione?
The canonical SMILES for 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione is O=C1CCCc2oc(=O)c3sccc3c21.
What is the InChIKey of 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione?
The InChIKey is NQVCJYPWNWJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S/c12-7-2-1-3-8-9(7)6-4-5-15-10(6)11(13)14-8/h4-5H,1-3H2.
What are the key properties of 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione?
7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione has a molecular weight of 220.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-thieno[2,3-c]chromene-4,9-dione is sourced from PubChem (CID 165135440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).