2-(2-methylthiophen-3-yl)acetic acid

C7H8O2S — CID 768693

IUPAC2-(2-methylthiophen-3-yl)acetic acid
SMILESCc1sccc1CC(=O)O
InChIInChI=1S/C7H8O2S/c1-5-6(2-3-10-5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChIKeyWLWMZUZOBOPULL-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.68
Rot. Bonds2

About 2-(2-methylthiophen-3-yl)acetic acid

2-(2-methylthiophen-3-yl)acetic acid (PubChem CID 768693) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(2-methylthiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylthiophen-3-yl)acetic acid
PubChem CID768693
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-(2-methylthiophen-3-yl)acetic acid
SMILESCc1sccc1CC(=O)O
InChIInChI=1S/C7H8O2S/c1-5-6(2-3-10-5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChIKeyWLWMZUZOBOPULL-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-(2-methylthiophen-3-yl)ethanol
CID 13144701
1-[(2-methylthiophen-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 130581527
2-(2-acetamidothiophen-3-yl)acetic acid
CID 69450686
ethyl 3-(2-methylthiophen-3-yl)propanoate
CID 102837254
1-(2-methylthiophen-3-yl)propan-2-ol
CID 67625732
6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 54433636
2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid
CID 67762956
bis(2-methylthiophen-3-yl)methanone
CID 101441488
2-(2-methylthiophen-3-yl)ethanamine;hydrochloride
CID 19826894
4-hydroxy-6-methyl-3-[2-(2-methylthiophen-3-yl)acetyl]pyran-2-one
CID 54710132
2-methyl-N-[(2-methylthiophen-3-yl)methyl]propan-2-amine
CID 102832538
3-(cyclobutylmethyl)-2-methylthiophene
CID 18942959

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthiophen-3-yl)acetic acid?
The IUPAC name of 2-(2-methylthiophen-3-yl)acetic acid (CID 768693) is 2-(2-methylthiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methylthiophen-3-yl)acetic acid?
The canonical SMILES for 2-(2-methylthiophen-3-yl)acetic acid is Cc1sccc1CC(=O)O.
What is the InChIKey of 2-(2-methylthiophen-3-yl)acetic acid?
The InChIKey is WLWMZUZOBOPULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5-6(2-3-10-5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9).
What are the key properties of 2-(2-methylthiophen-3-yl)acetic acid?
2-(2-methylthiophen-3-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-(2-methylthiophen-3-yl)acetic acid is sourced from PubChem (CID 768693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).