2-(4-methylthiophen-2-yl)acetic acid

C7H8O2S — CID 14076807

IUPAC2-(4-methylthiophen-2-yl)acetic acid
SMILESCc1csc(CC(=O)O)c1
InChIInChI=1S/C7H8O2S/c1-5-2-6(10-4-5)3-7(8)9/h2,4H,3H2,1H3,(H,8,9)
InChIKeyGGTJWZPIMZYFNP-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.68
Rot. Bonds2

About 2-(4-methylthiophen-2-yl)acetic acid

2-(4-methylthiophen-2-yl)acetic acid (PubChem CID 14076807) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(4-methylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylthiophen-2-yl)acetic acid
PubChem CID14076807
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-(4-methylthiophen-2-yl)acetic acid
SMILESCc1csc(CC(=O)O)c1
InChIInChI=1S/C7H8O2S/c1-5-2-6(10-4-5)3-7(8)9/h2,4H,3H2,1H3,(H,8,9)
InChIKeyGGTJWZPIMZYFNP-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Thiopheneacetic acid
CID 15970
4,5-Dimethylthiophene-2-carboxylic acid
CID 2769634
Methyl thiophen-2-acetate
CID 88055
3-(Thiophen-3-yl)propanoic acid
CID 268918
4-Ethyl-5-methylthiophene-2-carboxylic acid
CID 2512481
4-Ethylthiophene-2-carboxylic acid
CID 18938079
1-(Thiophen-2-yl)cyclopentane-1-carboxylic acid
CID 23294886
4-(3-Methylthiophen-2-yl)butanoic acid
CID 23434076
3,5-Dimethyl-2-thiophenecarboxylic acid
CID 819558
2-(Thiophen-3-yl)propanoic acid
CID 13134867
5-Ethylthiophene-3-carboxylic acid
CID 3561548
alpha-Methyl-2-thiopheneacetic acid
CID 3016922

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(4-methylthiophen-2-yl)acetic acid (CID 14076807) is 2-(4-methylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(4-methylthiophen-2-yl)acetic acid is Cc1csc(CC(=O)O)c1.
What is the InChIKey of 2-(4-methylthiophen-2-yl)acetic acid?
The InChIKey is GGTJWZPIMZYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5-2-6(10-4-5)3-7(8)9/h2,4H,3H2,1H3,(H,8,9).
What are the key properties of 2-(4-methylthiophen-2-yl)acetic acid?
2-(4-methylthiophen-2-yl)acetic acid has a molecular weight of 156.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-2-yl)acetic acid is sourced from PubChem (CID 14076807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).