7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol

C7H8O3S2 — CID 3623027

IUPAC7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
SMILESO=S1(=O)CCC(O)c2ccsc21
InChIInChI=1S/C7H8O3S2/c8-6-2-4-12(9,10)7-5(6)1-3-11-7/h1,3,6,8H,2,4H2
InChIKeyMFTKAMUOHUPBRG-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.96
Rot. Bonds

About 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol

7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol (PubChem CID 3623027) has the molecular formula C7H8O3S2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol.

Molecular Properties

Compound Name7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
PubChem CID3623027
Molecular FormulaC7H8O3S2
Molecular Weight204.27 g/mol
Exact Mass203.99
IUPAC Name7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
SMILESO=S1(=O)CCC(O)c2ccsc21
InChIInChI=1S/C7H8O3S2/c8-6-2-4-12(9,10)7-5(6)1-3-11-7/h1,3,6,8H,2,4H2
InChIKeyMFTKAMUOHUPBRG-UHFFFAOYSA-N
XLogP0.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol?
The IUPAC name of 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol (CID 3623027) is 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol.
What is the SMILES notation for 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol?
The canonical SMILES for 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol is O=S1(=O)CCC(O)c2ccsc21.
What is the InChIKey of 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol?
The InChIKey is MFTKAMUOHUPBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S2/c8-6-2-4-12(9,10)7-5(6)1-3-11-7/h1,3,6,8H,2,4H2.
What are the key properties of 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol?
7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol has a molecular weight of 204.27 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol is sourced from PubChem (CID 3623027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).