thieno[3,2-b]pyran-7-one

C7H4O2S — CID 18399618

IUPACthieno[3,2-b]pyran-7-one
SMILESO=c1ccoc2ccsc12
InChIInChI=1S/C7H4O2S/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4H
InChIKeyOVJIOJPHJYSSSX-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.85
Rot. Bonds

About thieno[3,2-b]pyran-7-one

thieno[3,2-b]pyran-7-one (PubChem CID 18399618) has the molecular formula C7H4O2S and a molecular weight of 152.17 g/mol. Its IUPAC name is thieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Namethieno[3,2-b]pyran-7-one
PubChem CID18399618
Molecular FormulaC7H4O2S
Molecular Weight152.17 g/mol
Exact Mass151.99
IUPAC Namethieno[3,2-b]pyran-7-one
SMILESO=c1ccoc2ccsc12
InChIInChI=1S/C7H4O2S/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4H
InChIKeyOVJIOJPHJYSSSX-UHFFFAOYSA-N
XLogP1.85
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b]pyran-7-one?
The IUPAC name of thieno[3,2-b]pyran-7-one (CID 18399618) is thieno[3,2-b]pyran-7-one.
What is the SMILES notation for thieno[3,2-b]pyran-7-one?
The canonical SMILES for thieno[3,2-b]pyran-7-one is O=c1ccoc2ccsc12.
What is the InChIKey of thieno[3,2-b]pyran-7-one?
The InChIKey is OVJIOJPHJYSSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O2S/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4H.
What are the key properties of thieno[3,2-b]pyran-7-one?
thieno[3,2-b]pyran-7-one has a molecular weight of 152.17 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]pyran-7-one is sourced from PubChem (CID 18399618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).