2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid

C8H9ClO2S — CID 103845907

IUPAC2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1sccc1Cl
InChIInChI=1S/C8H9ClO2S/c1-8(2,7(10)11)6-5(9)3-4-12-6/h3-4H,1-2H3,(H,10,11)
InChIKeyNZVOVIPLRWRWAC-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.76
Rot. Bonds2

About 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid

2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid (PubChem CID 103845907) has the molecular formula C8H9ClO2S and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
PubChem CID103845907
Molecular FormulaC8H9ClO2S
Molecular Weight204.68 g/mol
Exact Mass204.00
IUPAC Name2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1sccc1Cl
InChIInChI=1S/C8H9ClO2S/c1-8(2,7(10)11)6-5(9)3-4-12-6/h3-4H,1-2H3,(H,10,11)
InChIKeyNZVOVIPLRWRWAC-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
2-(3-chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 23622414
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid
CID 80529440
2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358966
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
CID 107359274
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol
CID 107359188
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one
CID 130626646
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid (CID 103845907) is 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid?
The InChIKey is NZVOVIPLRWRWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S/c1-8(2,7(10)11)6-5(9)3-4-12-6/h3-4H,1-2H3,(H,10,11).
What are the key properties of 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid?
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid has a molecular weight of 204.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 103845907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).