3-hydroxythiophene-2-carboxylic acid

C5H4O3S — CID 54715543

IUPAC3-hydroxythiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1O
InChIInChI=1S/C5H4O3S/c6-3-1-2-9-4(3)5(7)8/h1-2,6H,(H,7,8)
InChIKeyRVDUJCGAAPQDBO-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.15
Rot. Bonds1

About 3-hydroxythiophene-2-carboxylic acid

3-hydroxythiophene-2-carboxylic acid (PubChem CID 54715543) has the molecular formula C5H4O3S and a molecular weight of 144.15 g/mol. Its IUPAC name is 3-hydroxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxythiophene-2-carboxylic acid
PubChem CID54715543
Molecular FormulaC5H4O3S
Molecular Weight144.15 g/mol
Exact Mass143.99
IUPAC Name3-hydroxythiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1O
InChIInChI=1S/C5H4O3S/c6-3-1-2-9-4(3)5(7)8/h1-2,6H,(H,7,8)
InChIKeyRVDUJCGAAPQDBO-UHFFFAOYSA-N
XLogP1.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-Thiophenecarboxylic acid
CID 10700
3-Methoxythiophene-2-carboxylic acid
CID 1483475
3-Ethoxythiophene-2-carboxylic acid
CID 2777652
3-Hydroxy-thiophene-2-carboxylic acid methyl ester
CID 581127
4-Hydroxythiophene-2-carboxylic acid
CID 13277907
2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester
CID 75095
3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
CID 2759348
Methyl 3-methoxythiophene-2-carboxylate
CID 701637
Methyl 3-hydroxy-5-methylthiophene-2-carboxylate
CID 587860
3-(Difluoromethoxy)thiophene-2-carboxylic acid
CID 15376480
3-Hydroxythiophene-2-carbaldehyde
CID 135742153
Ethyl 5-(acetylthio)-3-hydroxythiophene-2-carboxylate
CID 54728389

Frequently Asked Questions

What is the IUPAC name of 3-hydroxythiophene-2-carboxylic acid?
The IUPAC name of 3-hydroxythiophene-2-carboxylic acid (CID 54715543) is 3-hydroxythiophene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxythiophene-2-carboxylic acid?
The canonical SMILES for 3-hydroxythiophene-2-carboxylic acid is O=C(O)c1sccc1O.
What is the InChIKey of 3-hydroxythiophene-2-carboxylic acid?
The InChIKey is RVDUJCGAAPQDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O3S/c6-3-1-2-9-4(3)5(7)8/h1-2,6H,(H,7,8).
What are the key properties of 3-hydroxythiophene-2-carboxylic acid?
3-hydroxythiophene-2-carboxylic acid has a molecular weight of 144.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxythiophene-2-carboxylic acid is sourced from PubChem (CID 54715543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).