2,5-dichlorothiophene-3-carbonyl azide

C5HCl2N3OS — CID 107963418

IUPAC2,5-dichlorothiophene-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C5HCl2N3OS/c6-3-1-2(4(7)12-3)5(11)9-10-8/h1H
InChIKeyWLHJDLCIALERGG-UHFFFAOYSA-N
MW222.06 g/mol
LogP3.51
Rot. Bonds1

About 2,5-dichlorothiophene-3-carbonyl azide

2,5-dichlorothiophene-3-carbonyl azide (PubChem CID 107963418) has the molecular formula C5HCl2N3OS and a molecular weight of 222.06 g/mol. Its IUPAC name is 2,5-dichlorothiophene-3-carbonyl azide.

Molecular Properties

Compound Name2,5-dichlorothiophene-3-carbonyl azide
PubChem CID107963418
Molecular FormulaC5HCl2N3OS
Molecular Weight222.06 g/mol
Exact Mass220.92
IUPAC Name2,5-dichlorothiophene-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C5HCl2N3OS/c6-3-1-2(4(7)12-3)5(11)9-10-8/h1H
InChIKeyWLHJDLCIALERGG-UHFFFAOYSA-N
XLogP3.51
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 2,5-dichlorothiophene-3-carbonyl azide?
The IUPAC name of 2,5-dichlorothiophene-3-carbonyl azide (CID 107963418) is 2,5-dichlorothiophene-3-carbonyl azide.
What is the SMILES notation for 2,5-dichlorothiophene-3-carbonyl azide?
The canonical SMILES for 2,5-dichlorothiophene-3-carbonyl azide is [N-]=[N+]=NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichlorothiophene-3-carbonyl azide?
The InChIKey is WLHJDLCIALERGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2N3OS/c6-3-1-2(4(7)12-3)5(11)9-10-8/h1H.
What are the key properties of 2,5-dichlorothiophene-3-carbonyl azide?
2,5-dichlorothiophene-3-carbonyl azide has a molecular weight of 222.06 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorothiophene-3-carbonyl azide is sourced from PubChem (CID 107963418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).