4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile

C₁₄H₈N₂S — CID 155534254

About 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile

4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile (PubChem CID 155534254) has the molecular formula C₁₄H₈N₂S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile
• PubChem CID: 155534254
• Molecular Formula: C₁₄H₈N₂S
• Molecular Weight: 236.30 g/mol
• Exact Mass: 236.04
• IUPAC Name: 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile
• SMILES: N#C/C(=C\c1ccc(C#N)cc1)c1cccs1
• InChI: InChI=1S/C14H8N2S/c15-9-12-5-3-11(4-6-12)8-13(10-16)14-2-1-7-17-14/h1-8H/b13-8+
• InChIKey: SUPLZPVHJSTWDO-MDWZMJQESA-N
• XLogP: 3.68
• TPSA: 47.58 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.30
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile?

The IUPAC name of 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile (CID 155534254) is 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile.

What is the SMILES notation for 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile?

The canonical SMILES for 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile is N#C/C(=C\c1ccc(C#N)cc1)c1cccs1.

What is the InChIKey of 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile?

The InChIKey is SUPLZPVHJSTWDO-MDWZMJQESA-N. The full InChI is InChI=1S/C14H8N2S/c15-9-12-5-3-11(4-6-12)8-13(10-16)14-2-1-7-17-14/h1-8H/b13-8+.

What are the key properties of 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile?

4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile has a molecular weight of 236.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-cyano-2-thiophen-2-ylethenyl]benzonitrile is sourced from PubChem (CID 155534254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155534254 — identifiers, structure, computed properties (public domain)

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