(2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one

C7H8O2S — CID 10197802

IUPAC(2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one
SMILESC[C@H](O)C(=O)c1cccs1
InChIInChI=1S/C7H8O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-5,8H,1H3/t5-/m0/s1
InChIKeyWQLFIRJJUCPMBE-YFKPBYRVSA-N
MW156.21 g/mol
LogP1.31
Rot. Bonds2

About (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one

(2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one (PubChem CID 10197802) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one
PubChem CID10197802
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name(2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one
SMILESC[C@H](O)C(=O)c1cccs1
InChIInChI=1S/C7H8O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-5,8H,1H3/t5-/m0/s1
InChIKeyWQLFIRJJUCPMBE-YFKPBYRVSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one (CID 10197802) is (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one is C[C@H](O)C(=O)c1cccs1.
What is the InChIKey of (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one?
The InChIKey is WQLFIRJJUCPMBE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-5,8H,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one?
(2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one has a molecular weight of 156.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 10197802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).