2-methylthiophene-3-carboxylic acid

C6H6O2S — CID 4625409

IUPAC2-methylthiophene-3-carboxylic acid
SMILESCc1sccc1C(=O)O
InChIInChI=1S/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
InChIKeyYJZOPBSZDIBXBG-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.75
Rot. Bonds1

About 2-methylthiophene-3-carboxylic acid

2-methylthiophene-3-carboxylic acid (PubChem CID 4625409) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-methylthiophene-3-carboxylic acid
PubChem CID4625409
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Name2-methylthiophene-3-carboxylic acid
SMILESCc1sccc1C(=O)O
InChIInChI=1S/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
InChIKeyYJZOPBSZDIBXBG-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-methylthiophene-3-carboxylic acid (CID 4625409) is 2-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-methylthiophene-3-carboxylic acid is Cc1sccc1C(=O)O.
What is the InChIKey of 2-methylthiophene-3-carboxylic acid?
The InChIKey is YJZOPBSZDIBXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8).
What are the key properties of 2-methylthiophene-3-carboxylic acid?
2-methylthiophene-3-carboxylic acid has a molecular weight of 142.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 4625409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).