thiophene-2,5-dicarbaldehyde

C6H4O2S — CID 587784

IUPACthiophene-2,5-dicarbaldehyde
SMILESO=Cc1ccc(C=O)s1
InChIInChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H
InChIKeyOTMRXENQDSQACG-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.37
Rot. Bonds2

About thiophene-2,5-dicarbaldehyde

thiophene-2,5-dicarbaldehyde (PubChem CID 587784) has the molecular formula C6H4O2S and a molecular weight of 140.16 g/mol. Its IUPAC name is thiophene-2,5-dicarbaldehyde.

Molecular Properties

Compound Namethiophene-2,5-dicarbaldehyde
PubChem CID587784
Molecular FormulaC6H4O2S
Molecular Weight140.16 g/mol
Exact Mass139.99
IUPAC Namethiophene-2,5-dicarbaldehyde
SMILESO=Cc1ccc(C=O)s1
InChIInChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H
InChIKeyOTMRXENQDSQACG-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiophene-2,5-dicarbaldehyde?
The IUPAC name of thiophene-2,5-dicarbaldehyde (CID 587784) is thiophene-2,5-dicarbaldehyde.
What is the SMILES notation for thiophene-2,5-dicarbaldehyde?
The canonical SMILES for thiophene-2,5-dicarbaldehyde is O=Cc1ccc(C=O)s1.
What is the InChIKey of thiophene-2,5-dicarbaldehyde?
The InChIKey is OTMRXENQDSQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H.
What are the key properties of thiophene-2,5-dicarbaldehyde?
thiophene-2,5-dicarbaldehyde has a molecular weight of 140.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2,5-dicarbaldehyde is sourced from PubChem (CID 587784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).