thiophene-2-carbaldehyde

C5H4OS — CID 7364

IUPACthiophene-2-carbaldehyde
SMILESO=Cc1cccs1
InChIInChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
InChIKeyCNUDBTRUORMMPA-UHFFFAOYSA-N
MW112.15 g/mol
LogP1.56
Rot. Bonds1

About thiophene-2-carbaldehyde

thiophene-2-carbaldehyde (PubChem CID 7364) has the molecular formula C5H4OS and a molecular weight of 112.15 g/mol. Its IUPAC name is thiophene-2-carbaldehyde.

Molecular Properties

Compound Namethiophene-2-carbaldehyde
PubChem CID7364
Molecular FormulaC5H4OS
Molecular Weight112.15 g/mol
Exact Mass112.00
IUPAC Namethiophene-2-carbaldehyde
SMILESO=Cc1cccs1
InChIInChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
InChIKeyCNUDBTRUORMMPA-UHFFFAOYSA-N
XLogP1.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-carbaldehyde?
The IUPAC name of thiophene-2-carbaldehyde (CID 7364) is thiophene-2-carbaldehyde.
What is the SMILES notation for thiophene-2-carbaldehyde?
The canonical SMILES for thiophene-2-carbaldehyde is O=Cc1cccs1.
What is the InChIKey of thiophene-2-carbaldehyde?
The InChIKey is CNUDBTRUORMMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H.
What are the key properties of thiophene-2-carbaldehyde?
thiophene-2-carbaldehyde has a molecular weight of 112.15 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carbaldehyde is sourced from PubChem (CID 7364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).