3-naphthalen-2-ylthiophene-2-carboxylic acid

C15H10O2S — CID 63798370

IUPAC3-naphthalen-2-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccc2ccccc2c1
InChIInChI=1S/C15H10O2S/c16-15(17)14-13(7-8-18-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,16,17)
InChIKeyCCCSSJRZKBRLSW-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.27
Rot. Bonds2

About 3-naphthalen-2-ylthiophene-2-carboxylic acid

3-naphthalen-2-ylthiophene-2-carboxylic acid (PubChem CID 63798370) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-naphthalen-2-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-2-ylthiophene-2-carboxylic acid
PubChem CID63798370
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name3-naphthalen-2-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccc2ccccc2c1
InChIInChI=1S/C15H10O2S/c16-15(17)14-13(7-8-18-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,16,17)
InChIKeyCCCSSJRZKBRLSW-UHFFFAOYSA-N
XLogP4.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-naphthalen-2-ylthiophene-2-carboxylic acid (CID 63798370) is 3-naphthalen-2-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-naphthalen-2-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-naphthalen-2-ylthiophene-2-carboxylic acid is O=C(O)c1sccc1-c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-ylthiophene-2-carboxylic acid?
The InChIKey is CCCSSJRZKBRLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2S/c16-15(17)14-13(7-8-18-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,16,17).
What are the key properties of 3-naphthalen-2-ylthiophene-2-carboxylic acid?
3-naphthalen-2-ylthiophene-2-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 63798370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).