2-methyl-2-thiophen-3-ylpropanoic acid

C8H10O2S — CID 19092029

IUPAC2-methyl-2-thiophen-3-ylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccsc1
InChIInChI=1S/C8H10O2S/c1-8(2,7(9)10)6-3-4-11-5-6/h3-5H,1-2H3,(H,9,10)
InChIKeyZHQCSMCHLZTQNU-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.11
Rot. Bonds2

About 2-methyl-2-thiophen-3-ylpropanoic acid

2-methyl-2-thiophen-3-ylpropanoic acid (PubChem CID 19092029) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-methyl-2-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-thiophen-3-ylpropanoic acid
PubChem CID19092029
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-methyl-2-thiophen-3-ylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccsc1
InChIInChI=1S/C8H10O2S/c1-8(2,7(9)10)6-3-4-11-5-6/h3-5H,1-2H3,(H,9,10)
InChIKeyZHQCSMCHLZTQNU-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-3-ylpropanoic acid?
The IUPAC name of 2-methyl-2-thiophen-3-ylpropanoic acid (CID 19092029) is 2-methyl-2-thiophen-3-ylpropanoic acid.
What is the SMILES notation for 2-methyl-2-thiophen-3-ylpropanoic acid?
The canonical SMILES for 2-methyl-2-thiophen-3-ylpropanoic acid is CC(C)(C(=O)O)c1ccsc1.
What is the InChIKey of 2-methyl-2-thiophen-3-ylpropanoic acid?
The InChIKey is ZHQCSMCHLZTQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-8(2,7(9)10)6-3-4-11-5-6/h3-5H,1-2H3,(H,9,10).
What are the key properties of 2-methyl-2-thiophen-3-ylpropanoic acid?
2-methyl-2-thiophen-3-ylpropanoic acid has a molecular weight of 170.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 19092029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).