4-methoxycarbonylthiophene-2-carboxylic acid

C7H6O4S — CID 15007354

IUPAC4-methoxycarbonylthiophene-2-carboxylic acid
SMILESCOC(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C7H6O4S/c1-11-7(10)4-2-5(6(8)9)12-3-4/h2-3H,1H3,(H,8,9)
InChIKeyUNUAGYLNEWRKAU-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.23
Rot. Bonds2

About 4-methoxycarbonylthiophene-2-carboxylic acid

4-methoxycarbonylthiophene-2-carboxylic acid (PubChem CID 15007354) has the molecular formula C7H6O4S and a molecular weight of 186.19 g/mol. Its IUPAC name is 4-methoxycarbonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxycarbonylthiophene-2-carboxylic acid
PubChem CID15007354
Molecular FormulaC7H6O4S
Molecular Weight186.19 g/mol
Exact Mass186.00
IUPAC Name4-methoxycarbonylthiophene-2-carboxylic acid
SMILESCOC(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C7H6O4S/c1-11-7(10)4-2-5(6(8)9)12-3-4/h2-3H,1H3,(H,8,9)
InChIKeyUNUAGYLNEWRKAU-UHFFFAOYSA-N
XLogP1.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonylthiophene-2-carboxylic acid?
The IUPAC name of 4-methoxycarbonylthiophene-2-carboxylic acid (CID 15007354) is 4-methoxycarbonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-methoxycarbonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-methoxycarbonylthiophene-2-carboxylic acid is COC(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-methoxycarbonylthiophene-2-carboxylic acid?
The InChIKey is UNUAGYLNEWRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4S/c1-11-7(10)4-2-5(6(8)9)12-3-4/h2-3H,1H3,(H,8,9).
What are the key properties of 4-methoxycarbonylthiophene-2-carboxylic acid?
4-methoxycarbonylthiophene-2-carboxylic acid has a molecular weight of 186.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonylthiophene-2-carboxylic acid is sourced from PubChem (CID 15007354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).