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

C10H14O2S — CID 79989991

IUPAC4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1CC(C)C
InChIInChI=1S/C10H14O2S/c1-6(2)4-8-7(3)5-9(13-8)10(11)12/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeySWJDPQIOSKNZIJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.95
Rot. Bonds3

About 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid

4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid (PubChem CID 79989991) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid
PubChem CID79989991
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1CC(C)C
InChIInChI=1S/C10H14O2S/c1-6(2)4-8-7(3)5-9(13-8)10(11)12/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeySWJDPQIOSKNZIJ-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid (CID 79989991) is 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1CC(C)C.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid?
The InChIKey is SWJDPQIOSKNZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-6(2)4-8-7(3)5-9(13-8)10(11)12/h5-6H,4H2,1-3H3,(H,11,12).
What are the key properties of 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid?
4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid has a molecular weight of 198.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 79989991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).