2-hydroxy-1-(5-methylthiophen-3-yl)ethanone

C7H8O2S — CID 58514699

IUPAC2-hydroxy-1-(5-methylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CO)cs1
InChIInChI=1S/C7H8O2S/c1-5-2-6(4-10-5)7(9)3-8/h2,4,8H,3H2,1H3
InChIKeyCWFCKACWRDBYHQ-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.23
Rot. Bonds2

About 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone

2-hydroxy-1-(5-methylthiophen-3-yl)ethanone (PubChem CID 58514699) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(5-methylthiophen-3-yl)ethanone
PubChem CID58514699
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-hydroxy-1-(5-methylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CO)cs1
InChIInChI=1S/C7H8O2S/c1-5-2-6(4-10-5)7(9)3-8/h2,4,8H,3H2,1H3
InChIKeyCWFCKACWRDBYHQ-UHFFFAOYSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone (CID 58514699) is 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone is Cc1cc(C(=O)CO)cs1.
What is the InChIKey of 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone?
The InChIKey is CWFCKACWRDBYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5-2-6(4-10-5)7(9)3-8/h2,4,8H,3H2,1H3.
What are the key properties of 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone?
2-hydroxy-1-(5-methylthiophen-3-yl)ethanone has a molecular weight of 156.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(5-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 58514699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).