5-(2-methylpropyl)thiophene-2-carboxylic acid

C9H12O2S — CID 19622689

IUPAC5-(2-methylpropyl)thiophene-2-carboxylic acid
SMILESCC(C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C9H12O2S/c1-6(2)5-7-3-4-8(12-7)9(10)11/h3-4,6H,5H2,1-2H3,(H,10,11)
InChIKeyQKSXJQJLJNLEPE-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.64
Rot. Bonds3

About 5-(2-methylpropyl)thiophene-2-carboxylic acid

5-(2-methylpropyl)thiophene-2-carboxylic acid (PubChem CID 19622689) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-(2-methylpropyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropyl)thiophene-2-carboxylic acid
PubChem CID19622689
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name5-(2-methylpropyl)thiophene-2-carboxylic acid
SMILESCC(C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C9H12O2S/c1-6(2)5-7-3-4-8(12-7)9(10)11/h3-4,6H,5H2,1-2H3,(H,10,11)
InChIKeyQKSXJQJLJNLEPE-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methylpropyl)thiophene-2-carboxylic acid (CID 19622689) is 5-(2-methylpropyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpropyl)thiophene-2-carboxylic acid is CC(C)Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-methylpropyl)thiophene-2-carboxylic acid?
The InChIKey is QKSXJQJLJNLEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-6(2)5-7-3-4-8(12-7)9(10)11/h3-4,6H,5H2,1-2H3,(H,10,11).
What are the key properties of 5-(2-methylpropyl)thiophene-2-carboxylic acid?
5-(2-methylpropyl)thiophene-2-carboxylic acid has a molecular weight of 184.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 19622689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).