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

C8H9ClO2S — CID 130640023

IUPAC3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccsc1Cl)C(=O)O
InChIInChI=1S/C8H9ClO2S/c1-5(8(10)11)4-6-2-3-12-7(6)9/h2-3,5H,4H2,1H3,(H,10,11)
InChIKeyKYRNFFXTMILVNW-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.66
Rot. Bonds3

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

3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid (PubChem CID 130640023) has the molecular formula C8H9ClO2S and a molecular weight of 204.68 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid
PubChem CID130640023
Molecular FormulaC8H9ClO2S
Molecular Weight204.68 g/mol
Exact Mass204.00
IUPAC Name3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccsc1Cl)C(=O)O
InChIInChI=1S/C8H9ClO2S/c1-5(8(10)11)4-6-2-3-12-7(6)9/h2-3,5H,4H2,1H3,(H,10,11)
InChIKeyKYRNFFXTMILVNW-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-chlorothiophen-3-yl)methylamino]-4-methylpentanoic acid
CID 120510918
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
3-(2-chlorothiophen-3-yl)-2-oxopropanoic acid
CID 130646763
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647
3-(2-bromo-4-chloro-3-fluorophenyl)-2-methylpropanoic acid
CID 117476290
3-(2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307764
3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
CID 82618683
3-[2-(2-amino-2-carboxyethyl)-4,5-dichlorophenyl]-2-methylpropanoic acid
CID 18956366
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
3-[(3-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 80645417

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid (CID 130640023) is 3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid is CC(Cc1ccsc1Cl)C(=O)O.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid?
The InChIKey is KYRNFFXTMILVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S/c1-5(8(10)11)4-6-2-3-12-7(6)9/h2-3,5H,4H2,1H3,(H,10,11).
What are the key properties of 3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid?
3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid has a molecular weight of 204.68 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 130640023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).