7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole

C28H30S2Te — CID 153495211

About 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole

7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole (PubChem CID 153495211) has the molecular formula C28H30S2Te and a molecular weight of 558.28 g/mol. Its IUPAC name is 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole.

Molecular Properties

• Compound Name: 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole
• PubChem CID: 153495211
• Molecular Formula: C28H30S2Te
• Molecular Weight: 558.28 g/mol
• Exact Mass: 560.09
• IUPAC Name: 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole
• SMILES: CCCCCCCCCCc1ccc(-c2cc3cc4cc5ccsc5cc4cc3[te]2)s1
• InChI: InChI=1S/C28H30S2Te/c1-2-3-4-5-6-7-8-9-10-24-11-12-25(30-24)28-19-23-16-21-15-20-13-14-29-26(20)17-22(21)18-27(23)31-28/h11-19H,2-10H2,1H3
• InChIKey: XMWLMKSQCQIYIS-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.28
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole?

The IUPAC name of 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole (CID 153495211) is 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole.

What is the SMILES notation for 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole?

The canonical SMILES for 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole is CCCCCCCCCCc1ccc(-c2cc3cc4cc5ccsc5cc4cc3[te]2)s1.

What is the InChIKey of 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole?

The InChIKey is XMWLMKSQCQIYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30S2Te/c1-2-3-4-5-6-7-8-9-10-24-11-12-25(30-24)28-19-23-16-21-15-20-13-14-29-26(20)17-22(21)18-27(23)31-28/h11-19H,2-10H2,1H3.

What are the key properties of 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole?

7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole has a molecular weight of 558.28 g/mol, XLogP of 9.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole is sourced from PubChem (CID 153495211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).