2-hydroxy-1-thiophen-2-ylethanone

C6H6O2S — CID 15584261

IUPAC2-hydroxy-1-thiophen-2-ylethanone
SMILESO=C(CO)c1cccs1
InChIInChI=1S/C6H6O2S/c7-4-5(8)6-2-1-3-9-6/h1-3,7H,4H2
InChIKeyRWYQCSIKKZSICV-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.92
Rot. Bonds2

About 2-hydroxy-1-thiophen-2-ylethanone

2-hydroxy-1-thiophen-2-ylethanone (PubChem CID 15584261) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-hydroxy-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-hydroxy-1-thiophen-2-ylethanone
PubChem CID15584261
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Name2-hydroxy-1-thiophen-2-ylethanone
SMILESO=C(CO)c1cccs1
InChIInChI=1S/C6H6O2S/c7-4-5(8)6-2-1-3-9-6/h1-3,7H,4H2
InChIKeyRWYQCSIKKZSICV-UHFFFAOYSA-N
XLogP0.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-thiophen-2-ylethanone?
The IUPAC name of 2-hydroxy-1-thiophen-2-ylethanone (CID 15584261) is 2-hydroxy-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-hydroxy-1-thiophen-2-ylethanone?
The canonical SMILES for 2-hydroxy-1-thiophen-2-ylethanone is O=C(CO)c1cccs1.
What is the InChIKey of 2-hydroxy-1-thiophen-2-ylethanone?
The InChIKey is RWYQCSIKKZSICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c7-4-5(8)6-2-1-3-9-6/h1-3,7H,4H2.
What are the key properties of 2-hydroxy-1-thiophen-2-ylethanone?
2-hydroxy-1-thiophen-2-ylethanone has a molecular weight of 142.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-thiophen-2-ylethanone is sourced from PubChem (CID 15584261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).