2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid

C10H14O2S — CID 90735803

IUPAC2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid
SMILESCCc1cc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C10H14O2S/c1-4-8-5-7(6-13-8)10(2,3)9(11)12/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyPFIPVWGCAPUOGS-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.67
Rot. Bonds3

About 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid

2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid (PubChem CID 90735803) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid
PubChem CID90735803
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid
SMILESCCc1cc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C10H14O2S/c1-4-8-5-7(6-13-8)10(2,3)9(11)12/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyPFIPVWGCAPUOGS-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid (CID 90735803) is 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid is CCc1cc(C(C)(C)C(=O)O)cs1.
What is the InChIKey of 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid?
The InChIKey is PFIPVWGCAPUOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-4-8-5-7(6-13-8)10(2,3)9(11)12/h5-6H,4H2,1-3H3,(H,11,12).
What are the key properties of 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid?
2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid has a molecular weight of 198.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 90735803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).