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

C28H30S2Te — CID 153495211

IUPAC7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole
SMILESCCCCCCCCCCc1ccc(-c2cc3cc4cc5ccsc5cc4cc3[te]2)s1
InChIInChI=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
InChIKeyXMWLMKSQCQIYIS-UHFFFAOYSA-N
MW558.28 g/mol
LogP9.68
Rot. Bonds10

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 Name7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole
PubChem CID153495211
Molecular FormulaC28H30S2Te
Molecular Weight558.28 g/mol
Exact Mass560.09
IUPAC Name7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole
SMILESCCCCCCCCCCc1ccc(-c2cc3cc4cc5ccsc5cc4cc3[te]2)s1
InChIInChI=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
InChIKeyXMWLMKSQCQIYIS-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.28
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).