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

C7H6OS2 — CID 11030274

IUPAC5,6-dihydrothieno[2,3-b]thiopyran-4-one
SMILESO=C1CCSc2sccc21
InChIInChI=1S/C7H6OS2/c8-6-2-4-10-7-5(6)1-3-9-7/h1,3H,2,4H2
InChIKeyQHIWYFNTGCSHTG-UHFFFAOYSA-N
MW170.26 g/mol
LogP2.43
Rot. Bonds

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

5,6-dihydrothieno[2,3-b]thiopyran-4-one (PubChem CID 11030274) has the molecular formula C7H6OS2 and a molecular weight of 170.26 g/mol. Its IUPAC name is 5,6-dihydrothieno[2,3-b]thiopyran-4-one.

Molecular Properties

Compound Name5,6-dihydrothieno[2,3-b]thiopyran-4-one
PubChem CID11030274
Molecular FormulaC7H6OS2
Molecular Weight170.26 g/mol
Exact Mass169.99
IUPAC Name5,6-dihydrothieno[2,3-b]thiopyran-4-one
SMILESO=C1CCSc2sccc21
InChIInChI=1S/C7H6OS2/c8-6-2-4-10-7-5(6)1-3-9-7/h1,3H,2,4H2
InChIKeyQHIWYFNTGCSHTG-UHFFFAOYSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The IUPAC name of 5,6-dihydrothieno[2,3-b]thiopyran-4-one (CID 11030274) is 5,6-dihydrothieno[2,3-b]thiopyran-4-one.
What is the SMILES notation for 5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The canonical SMILES for 5,6-dihydrothieno[2,3-b]thiopyran-4-one is O=C1CCSc2sccc21.
What is the InChIKey of 5,6-dihydrothieno[2,3-b]thiopyran-4-one?
The InChIKey is QHIWYFNTGCSHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6OS2/c8-6-2-4-10-7-5(6)1-3-9-7/h1,3H,2,4H2.
What are the key properties of 5,6-dihydrothieno[2,3-b]thiopyran-4-one?
5,6-dihydrothieno[2,3-b]thiopyran-4-one has a molecular weight of 170.26 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydrothieno[2,3-b]thiopyran-4-one is sourced from PubChem (CID 11030274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).