5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one

C10H8O3S2 — CID 71918867

IUPAC5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one
SMILESO=c1cc(CSc2cccs2)occ1O
InChIInChI=1S/C10H8O3S2/c11-8-4-7(13-5-9(8)12)6-15-10-2-1-3-14-10/h1-5,12H,6H2
InChIKeyCOEINHQNYDPYIJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.70
Rot. Bonds3

About 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one

5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one (PubChem CID 71918867) has the molecular formula C10H8O3S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one
PubChem CID71918867
Molecular FormulaC10H8O3S2
Molecular Weight240.31 g/mol
Exact Mass239.99
IUPAC Name5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one
SMILESO=c1cc(CSc2cccs2)occ1O
InChIInChI=1S/C10H8O3S2/c11-8-4-7(13-5-9(8)12)6-15-10-2-1-3-14-10/h1-5,12H,6H2
InChIKeyCOEINHQNYDPYIJ-UHFFFAOYSA-N
XLogP2.70
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one?
The IUPAC name of 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one (CID 71918867) is 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one?
The canonical SMILES for 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one is O=c1cc(CSc2cccs2)occ1O.
What is the InChIKey of 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one?
The InChIKey is COEINHQNYDPYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S2/c11-8-4-7(13-5-9(8)12)6-15-10-2-1-3-14-10/h1-5,12H,6H2.
What are the key properties of 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one?
5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one has a molecular weight of 240.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one is sourced from PubChem (CID 71918867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).