4-azidothiophene-2-carbaldehyde

C5H3N3OS — CID 18695240

IUPAC4-azidothiophene-2-carbaldehyde
SMILES[N-]=[N+]=Nc1csc(C=O)c1
InChIInChI=1S/C5H3N3OS/c6-8-7-4-1-5(2-9)10-3-4/h1-3H
InChIKeyBCIVJSIZTZPLRN-UHFFFAOYSA-N
MW153.17 g/mol
LogP2.50
Rot. Bonds2

About 4-azidothiophene-2-carbaldehyde

4-azidothiophene-2-carbaldehyde (PubChem CID 18695240) has the molecular formula C5H3N3OS and a molecular weight of 153.17 g/mol. Its IUPAC name is 4-azidothiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-azidothiophene-2-carbaldehyde
PubChem CID18695240
Molecular FormulaC5H3N3OS
Molecular Weight153.17 g/mol
Exact Mass153.00
IUPAC Name4-azidothiophene-2-carbaldehyde
SMILES[N-]=[N+]=Nc1csc(C=O)c1
InChIInChI=1S/C5H3N3OS/c6-8-7-4-1-5(2-9)10-3-4/h1-3H
InChIKeyBCIVJSIZTZPLRN-UHFFFAOYSA-N
XLogP2.50
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azidothiophene-2-carbaldehyde?
The IUPAC name of 4-azidothiophene-2-carbaldehyde (CID 18695240) is 4-azidothiophene-2-carbaldehyde.
What is the SMILES notation for 4-azidothiophene-2-carbaldehyde?
The canonical SMILES for 4-azidothiophene-2-carbaldehyde is [N-]=[N+]=Nc1csc(C=O)c1.
What is the InChIKey of 4-azidothiophene-2-carbaldehyde?
The InChIKey is BCIVJSIZTZPLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3OS/c6-8-7-4-1-5(2-9)10-3-4/h1-3H.
What are the key properties of 4-azidothiophene-2-carbaldehyde?
4-azidothiophene-2-carbaldehyde has a molecular weight of 153.17 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidothiophene-2-carbaldehyde is sourced from PubChem (CID 18695240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).