7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one

C7H6O3S2 — CID 3613959

IUPAC7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one
SMILESO=C1CCS(=O)(=O)c2sccc21
InChIInChI=1S/C7H6O3S2/c8-6-2-4-12(9,10)7-5(6)1-3-11-7/h1,3H,2,4H2
InChIKeyQFQIXUPQDKOJMH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.11
Rot. Bonds

About 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one

7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one (PubChem CID 3613959) has the molecular formula C7H6O3S2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one.

Molecular Properties

Compound Name7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one
PubChem CID3613959
Molecular FormulaC7H6O3S2
Molecular Weight202.26 g/mol
Exact Mass201.98
IUPAC Name7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one
SMILESO=C1CCS(=O)(=O)c2sccc21
InChIInChI=1S/C7H6O3S2/c8-6-2-4-12(9,10)7-5(6)1-3-11-7/h1,3H,2,4H2
InChIKeyQFQIXUPQDKOJMH-UHFFFAOYSA-N
XLogP1.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The IUPAC name of 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one (CID 3613959) is 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one.
What is the SMILES notation for 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The canonical SMILES for 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one is O=C1CCS(=O)(=O)c2sccc21.
What is the InChIKey of 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The InChIKey is QFQIXUPQDKOJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3S2/c8-6-2-4-12(9,10)7-5(6)1-3-11-7/h1,3H,2,4H2.
What are the key properties of 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one?
7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one has a molecular weight of 202.26 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-one is sourced from PubChem (CID 3613959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).