Ethylthioethynyl azide

C₄H₅N₃S — CID 15889566

About Ethylthioethynyl azide

Ethylthioethynyl azide (PubChem CID 15889566) has the molecular formula C₄H₅N₃S and a molecular weight of 127.17 g/mol. Its IUPAC name is 1-azido-2-ethylsulfanylethyne.

Molecular Properties

• Compound Name: Ethylthioethynyl azide
• PubChem CID: 15889566
• Molecular Formula: C₄H₅N₃S
• Molecular Weight: 127.17 g/mol
• Exact Mass: 127.02
• IUPAC Name: 1-azido-2-ethylsulfanylethyne
• SMILES: CCSC#CN=[N+]=[N-]
• InChI: InChI=1S/C4H5N3S/c1-2-8-4-3-6-7-5/h2H2,1H3
• InChIKey: WARYGKGDJBOMCA-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 48.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	127.17
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethylthioethynyl azide?

The IUPAC name of Ethylthioethynyl azide (CID 15889566) is 1-azido-2-ethylsulfanylethyne.

What is the SMILES notation for Ethylthioethynyl azide?

The canonical SMILES for Ethylthioethynyl azide is CCSC#CN=[N+]=[N-].

What is the InChIKey of Ethylthioethynyl azide?

The InChIKey is WARYGKGDJBOMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S/c1-2-8-4-3-6-7-5/h2H2,1H3.

What are the key properties of Ethylthioethynyl azide?

Ethylthioethynyl azide has a molecular weight of 127.17 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethylthioethynyl azide is sourced from PubChem (CID 15889566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15889566 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.