4H-thieno[2,3-b]thiopyran-5-one

C7H6OS2 — CID 21268824

IUPAC4H-thieno[2,3-b]thiopyran-5-one
SMILESO=C1CSc2sccc2C1
InChIInChI=1S/C7H6OS2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-2H,3-4H2
InChIKeyMFCGICMIQWJSFT-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.97
Rot. Bonds

About 4H-thieno[2,3-b]thiopyran-5-one

4H-thieno[2,3-b]thiopyran-5-one (PubChem CID 21268824) has the molecular formula C7H6OS2 and a molecular weight of 170.26 g/mol. Its IUPAC name is 4H-thieno[2,3-b]thiopyran-5-one.

Molecular Properties

Compound Name4H-thieno[2,3-b]thiopyran-5-one
PubChem CID21268824
Molecular FormulaC7H6OS2
Molecular Weight170.26 g/mol
Exact Mass169.99
IUPAC Name4H-thieno[2,3-b]thiopyran-5-one
SMILESO=C1CSc2sccc2C1
InChIInChI=1S/C7H6OS2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-2H,3-4H2
InChIKeyMFCGICMIQWJSFT-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-thieno[2,3-b]thiopyran-5-one?
The IUPAC name of 4H-thieno[2,3-b]thiopyran-5-one (CID 21268824) is 4H-thieno[2,3-b]thiopyran-5-one.
What is the SMILES notation for 4H-thieno[2,3-b]thiopyran-5-one?
The canonical SMILES for 4H-thieno[2,3-b]thiopyran-5-one is O=C1CSc2sccc2C1.
What is the InChIKey of 4H-thieno[2,3-b]thiopyran-5-one?
The InChIKey is MFCGICMIQWJSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6OS2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-2H,3-4H2.
What are the key properties of 4H-thieno[2,3-b]thiopyran-5-one?
4H-thieno[2,3-b]thiopyran-5-one has a molecular weight of 170.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[2,3-b]thiopyran-5-one is sourced from PubChem (CID 21268824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).