2-thiophen-2-ylbutanoic acid;hydrochloride

C8H11ClO2S — CID 141021688

IUPAC2-thiophen-2-ylbutanoic acid;hydrochloride
SMILESCCC(C(=O)O)c1cccs1.Cl
InChIInChI=1S/C8H10O2S.ClH/c1-2-6(8(9)10)7-4-3-5-11-7;/h3-6H,2H2,1H3,(H,9,10);1H
InChIKeyYEPQZNXURWEIJX-UHFFFAOYSA-N
MW206.69 g/mol
LogP2.75
Rot. Bonds3

About 2-thiophen-2-ylbutanoic acid;hydrochloride

2-thiophen-2-ylbutanoic acid;hydrochloride (PubChem CID 141021688) has the molecular formula C8H11ClO2S and a molecular weight of 206.69 g/mol. Its IUPAC name is 2-thiophen-2-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name2-thiophen-2-ylbutanoic acid;hydrochloride
PubChem CID141021688
Molecular FormulaC8H11ClO2S
Molecular Weight206.69 g/mol
Exact Mass206.02
IUPAC Name2-thiophen-2-ylbutanoic acid;hydrochloride
SMILESCCC(C(=O)O)c1cccs1.Cl
InChIInChI=1S/C8H10O2S.ClH/c1-2-6(8(9)10)7-4-3-5-11-7;/h3-6H,2H2,1H3,(H,9,10);1H
InChIKeyYEPQZNXURWEIJX-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.69
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(tert-butylamino)-4-oxo-2-thiophen-2-ylbutanoic acid
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2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
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4-oxo-4-(propylamino)-3-thiophen-2-ylbutanoic acid
CID 112515750
3-(4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22685131
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
2-(2-methylthiophen-3-yl)butanoic acid
CID 102837236
3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylbutanoic acid;hydrochloride?
The IUPAC name of 2-thiophen-2-ylbutanoic acid;hydrochloride (CID 141021688) is 2-thiophen-2-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 2-thiophen-2-ylbutanoic acid;hydrochloride?
The canonical SMILES for 2-thiophen-2-ylbutanoic acid;hydrochloride is CCC(C(=O)O)c1cccs1.Cl.
What is the InChIKey of 2-thiophen-2-ylbutanoic acid;hydrochloride?
The InChIKey is YEPQZNXURWEIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.ClH/c1-2-6(8(9)10)7-4-3-5-11-7;/h3-6H,2H2,1H3,(H,9,10);1H.
What are the key properties of 2-thiophen-2-ylbutanoic acid;hydrochloride?
2-thiophen-2-ylbutanoic acid;hydrochloride has a molecular weight of 206.69 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 141021688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).