5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one

C9H8O3S — CID 102131773

IUPAC5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one
SMILESCC(O)c1cc2ccsc2c(=O)o1
InChIInChI=1S/C9H8O3S/c1-5(10)7-4-6-2-3-13-8(6)9(11)12-7/h2-5,10H,1H3
InChIKeyAHHALGKKKGKJPU-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.91
Rot. Bonds1

About 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one

5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one (PubChem CID 102131773) has the molecular formula C9H8O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one
PubChem CID102131773
Molecular FormulaC9H8O3S
Molecular Weight196.23 g/mol
Exact Mass196.02
IUPAC Name5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one
SMILESCC(O)c1cc2ccsc2c(=O)o1
InChIInChI=1S/C9H8O3S/c1-5(10)7-4-6-2-3-13-8(6)9(11)12-7/h2-5,10H,1H3
InChIKeyAHHALGKKKGKJPU-UHFFFAOYSA-N
XLogP1.91
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one?
The IUPAC name of 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one (CID 102131773) is 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one.
What is the SMILES notation for 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one?
The canonical SMILES for 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one is CC(O)c1cc2ccsc2c(=O)o1.
What is the InChIKey of 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one?
The InChIKey is AHHALGKKKGKJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3S/c1-5(10)7-4-6-2-3-13-8(6)9(11)12-7/h2-5,10H,1H3.
What are the key properties of 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one?
5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one has a molecular weight of 196.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)thieno[2,3-c]pyran-7-one is sourced from PubChem (CID 102131773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).