2-(azidomethyl)thiophene

C5H5N3S — CID 11815440

IUPAC2-(azidomethyl)thiophene
SMILES[N-]=[N+]=NCc1cccs1
InChIInChI=1S/C5H5N3S/c6-8-7-4-5-2-1-3-9-5/h1-3H,4H2
InChIKeyARAXHPYIMRBUKY-UHFFFAOYSA-N
MW139.18 g/mol
LogP2.56
Rot. Bonds2

About 2-(azidomethyl)thiophene

2-(azidomethyl)thiophene (PubChem CID 11815440) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 2-(azidomethyl)thiophene.

Molecular Properties

Compound Name2-(azidomethyl)thiophene
PubChem CID11815440
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name2-(azidomethyl)thiophene
SMILES[N-]=[N+]=NCc1cccs1
InChIInChI=1S/C5H5N3S/c6-8-7-4-5-2-1-3-9-5/h1-3H,4H2
InChIKeyARAXHPYIMRBUKY-UHFFFAOYSA-N
XLogP2.56
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 52.56
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-(azidomethyl)thiophene?
The IUPAC name of 2-(azidomethyl)thiophene (CID 11815440) is 2-(azidomethyl)thiophene.
What is the SMILES notation for 2-(azidomethyl)thiophene?
The canonical SMILES for 2-(azidomethyl)thiophene is [N-]=[N+]=NCc1cccs1.
What is the InChIKey of 2-(azidomethyl)thiophene?
The InChIKey is ARAXHPYIMRBUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c6-8-7-4-5-2-1-3-9-5/h1-3H,4H2.
What are the key properties of 2-(azidomethyl)thiophene?
2-(azidomethyl)thiophene has a molecular weight of 139.18 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)thiophene is sourced from PubChem (CID 11815440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).