3-hydroxythiophene-2-carbaldehyde

C5H4O2S — CID 135742153

IUPAC3-hydroxythiophene-2-carbaldehyde
SMILESO=Cc1sccc1O
InChIInChI=1S/C5H4O2S/c6-3-5-4(7)1-2-8-5/h1-3,7H
InChIKeyGQBCZPRINVZQJQ-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.27
Rot. Bonds1

About 3-hydroxythiophene-2-carbaldehyde

3-hydroxythiophene-2-carbaldehyde (PubChem CID 135742153) has the molecular formula C5H4O2S and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-hydroxythiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxythiophene-2-carbaldehyde
PubChem CID135742153
Molecular FormulaC5H4O2S
Molecular Weight128.15 g/mol
Exact Mass127.99
IUPAC Name3-hydroxythiophene-2-carbaldehyde
SMILESO=Cc1sccc1O
InChIInChI=1S/C5H4O2S/c6-3-5-4(7)1-2-8-5/h1-3,7H
InChIKeyGQBCZPRINVZQJQ-UHFFFAOYSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxythiophene-2-carbaldehyde?
The IUPAC name of 3-hydroxythiophene-2-carbaldehyde (CID 135742153) is 3-hydroxythiophene-2-carbaldehyde.
What is the SMILES notation for 3-hydroxythiophene-2-carbaldehyde?
The canonical SMILES for 3-hydroxythiophene-2-carbaldehyde is O=Cc1sccc1O.
What is the InChIKey of 3-hydroxythiophene-2-carbaldehyde?
The InChIKey is GQBCZPRINVZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S/c6-3-5-4(7)1-2-8-5/h1-3,7H.
What are the key properties of 3-hydroxythiophene-2-carbaldehyde?
3-hydroxythiophene-2-carbaldehyde has a molecular weight of 128.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxythiophene-2-carbaldehyde is sourced from PubChem (CID 135742153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).