2-(2-azidoethyl)-1-benzothiophene

C10H9N3S — CID 150941622

IUPAC2-(2-azidoethyl)-1-benzothiophene
SMILES[N-]=[N+]=NCCc1cc2ccccc2s1
InChIInChI=1S/C10H9N3S/c11-13-12-6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2
InChIKeyLIEDLLWLEQUGOI-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.75
Rot. Bonds3

About 2-(2-azidoethyl)-1-benzothiophene

2-(2-azidoethyl)-1-benzothiophene (PubChem CID 150941622) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(2-azidoethyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(2-azidoethyl)-1-benzothiophene
PubChem CID150941622
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name2-(2-azidoethyl)-1-benzothiophene
SMILES[N-]=[N+]=NCCc1cc2ccccc2s1
InChIInChI=1S/C10H9N3S/c11-13-12-6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2
InChIKeyLIEDLLWLEQUGOI-UHFFFAOYSA-N
XLogP3.75
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.75
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-(2-azidoethyl)-1-benzothiophene?
The IUPAC name of 2-(2-azidoethyl)-1-benzothiophene (CID 150941622) is 2-(2-azidoethyl)-1-benzothiophene.
What is the SMILES notation for 2-(2-azidoethyl)-1-benzothiophene?
The canonical SMILES for 2-(2-azidoethyl)-1-benzothiophene is [N-]=[N+]=NCCc1cc2ccccc2s1.
What is the InChIKey of 2-(2-azidoethyl)-1-benzothiophene?
The InChIKey is LIEDLLWLEQUGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c11-13-12-6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2.
What are the key properties of 2-(2-azidoethyl)-1-benzothiophene?
2-(2-azidoethyl)-1-benzothiophene has a molecular weight of 203.27 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-1-benzothiophene is sourced from PubChem (CID 150941622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).