5-propoxycarbonylthiophene-2-carboxylic acid

C9H10O4S — CID 67621359

IUPAC5-propoxycarbonylthiophene-2-carboxylic acid
SMILESCCCOC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H10O4S/c1-2-5-13-9(12)7-4-3-6(14-7)8(10)11/h3-4H,2,5H2,1H3,(H,10,11)
InChIKeyVFPHHKLEJQGNPH-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.01
Rot. Bonds4

About 5-propoxycarbonylthiophene-2-carboxylic acid

5-propoxycarbonylthiophene-2-carboxylic acid (PubChem CID 67621359) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-propoxycarbonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-propoxycarbonylthiophene-2-carboxylic acid
PubChem CID67621359
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name5-propoxycarbonylthiophene-2-carboxylic acid
SMILESCCCOC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H10O4S/c1-2-5-13-9(12)7-4-3-6(14-7)8(10)11/h3-4H,2,5H2,1H3,(H,10,11)
InChIKeyVFPHHKLEJQGNPH-UHFFFAOYSA-N
XLogP2.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propoxycarbonylthiophene-2-carboxylic acid?
The IUPAC name of 5-propoxycarbonylthiophene-2-carboxylic acid (CID 67621359) is 5-propoxycarbonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-propoxycarbonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-propoxycarbonylthiophene-2-carboxylic acid is CCCOC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-propoxycarbonylthiophene-2-carboxylic acid?
The InChIKey is VFPHHKLEJQGNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c1-2-5-13-9(12)7-4-3-6(14-7)8(10)11/h3-4H,2,5H2,1H3,(H,10,11).
What are the key properties of 5-propoxycarbonylthiophene-2-carboxylic acid?
5-propoxycarbonylthiophene-2-carboxylic acid has a molecular weight of 214.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxycarbonylthiophene-2-carboxylic acid is sourced from PubChem (CID 67621359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).