2-(5-methylthiophen-2-yl)acetic acid

C7H8O2S — CID 4527177

IUPAC2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(CC(=O)O)s1
InChIInChI=1S/C7H8O2S/c1-5-2-3-6(10-5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChIKeyPGLXPQAKVJMSMN-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.68
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)acetic acid

2-(5-methylthiophen-2-yl)acetic acid (PubChem CID 4527177) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)acetic acid
PubChem CID4527177
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(CC(=O)O)s1
InChIInChI=1S/C7H8O2S/c1-5-2-3-6(10-5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChIKeyPGLXPQAKVJMSMN-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-(2-Thienyl)Butyric Acid
CID 78386
5-Methylthiophene-2-carboxylic acid
CID 74713
5-Acetylthiophene-2-carboxylic acid
CID 3742727
5-Ethylthiophene-2-carboxylic acid
CID 588192
2-(5-chlorothiophen-2-yl)acetic Acid
CID 4426716
2-(5-Acetylthiophen-2-yl)acetic acid
CID 16767441
4-(2-Thienyl)butanoic acid methyl ester
CID 140766
5-(2-Thienyl)valeric acid
CID 152324
Ethyl 2-thienylacetate
CID 93657
3-(2-Thienyl)propanoic acid
CID 703169
1-(Thiophen-2-yl)cyclohexane-1-carboxylic acid
CID 820724

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(5-methylthiophen-2-yl)acetic acid (CID 4527177) is 2-(5-methylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(5-methylthiophen-2-yl)acetic acid is Cc1ccc(CC(=O)O)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)acetic acid?
The InChIKey is PGLXPQAKVJMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5-2-3-6(10-5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9).
What are the key properties of 2-(5-methylthiophen-2-yl)acetic acid?
2-(5-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-(5-methylthiophen-2-yl)acetic acid is sourced from PubChem (CID 4527177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).