5-methylsulfanylthiophene-2-carboxylic acid

C6H6O2S2 — CID 714372

IUPAC5-methylsulfanylthiophene-2-carboxylic acid
SMILESCSc1ccc(C(=O)O)s1
InChIInChI=1S/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
InChIKeyFWFWUSLBIIIIEN-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.17
Rot. Bonds2

About 5-methylsulfanylthiophene-2-carboxylic acid

5-methylsulfanylthiophene-2-carboxylic acid (PubChem CID 714372) has the molecular formula C6H6O2S2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-methylsulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methylsulfanylthiophene-2-carboxylic acid
PubChem CID714372
Molecular FormulaC6H6O2S2
Molecular Weight174.25 g/mol
Exact Mass173.98
IUPAC Name5-methylsulfanylthiophene-2-carboxylic acid
SMILESCSc1ccc(C(=O)O)s1
InChIInChI=1S/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
InChIKeyFWFWUSLBIIIIEN-UHFFFAOYSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylthiophene-2-carboxylic acid?
The IUPAC name of 5-methylsulfanylthiophene-2-carboxylic acid (CID 714372) is 5-methylsulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-methylsulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 5-methylsulfanylthiophene-2-carboxylic acid is CSc1ccc(C(=O)O)s1.
What is the InChIKey of 5-methylsulfanylthiophene-2-carboxylic acid?
The InChIKey is FWFWUSLBIIIIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8).
What are the key properties of 5-methylsulfanylthiophene-2-carboxylic acid?
5-methylsulfanylthiophene-2-carboxylic acid has a molecular weight of 174.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 714372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).