2-iodothiophene-3-carbaldehyde

C5H3IOS — CID 819056

IUPAC2-iodothiophene-3-carbaldehyde
SMILESO=Cc1ccsc1I
InChIInChI=1S/C5H3IOS/c6-5-4(3-7)1-2-8-5/h1-3H
InChIKeyXQBBCHBIMBAUEN-UHFFFAOYSA-N
MW238.05 g/mol
LogP2.17
Rot. Bonds1

About 2-iodothiophene-3-carbaldehyde

2-iodothiophene-3-carbaldehyde (PubChem CID 819056) has the molecular formula C5H3IOS and a molecular weight of 238.05 g/mol. Its IUPAC name is 2-iodothiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-iodothiophene-3-carbaldehyde
PubChem CID819056
Molecular FormulaC5H3IOS
Molecular Weight238.05 g/mol
Exact Mass237.89
IUPAC Name2-iodothiophene-3-carbaldehyde
SMILESO=Cc1ccsc1I
InChIInChI=1S/C5H3IOS/c6-5-4(3-7)1-2-8-5/h1-3H
InChIKeyXQBBCHBIMBAUEN-UHFFFAOYSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodothiophene-3-carbaldehyde?
The IUPAC name of 2-iodothiophene-3-carbaldehyde (CID 819056) is 2-iodothiophene-3-carbaldehyde.
What is the SMILES notation for 2-iodothiophene-3-carbaldehyde?
The canonical SMILES for 2-iodothiophene-3-carbaldehyde is O=Cc1ccsc1I.
What is the InChIKey of 2-iodothiophene-3-carbaldehyde?
The InChIKey is XQBBCHBIMBAUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IOS/c6-5-4(3-7)1-2-8-5/h1-3H.
What are the key properties of 2-iodothiophene-3-carbaldehyde?
2-iodothiophene-3-carbaldehyde has a molecular weight of 238.05 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodothiophene-3-carbaldehyde is sourced from PubChem (CID 819056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).