6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole

C16H12STe — CID 166512574

IUPAC6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole
SMILESCc1cc2cc3cc(C4=CC=CC4)[te]c3cc2s1
InChIInChI=1S/C16H12STe/c1-10-6-12-7-13-8-15(11-4-2-3-5-11)18-16(13)9-14(12)17-10/h2-4,6-9H,5H2,1H3
InChIKeyFNVDWTFYXSLHFW-UHFFFAOYSA-N
MW363.94 g/mol
LogP4.76
Rot. Bonds1

About 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole

6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole (PubChem CID 166512574) has the molecular formula C16H12STe and a molecular weight of 363.94 g/mol. Its IUPAC name is 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole.

Molecular Properties

Compound Name6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole
PubChem CID166512574
Molecular FormulaC16H12STe
Molecular Weight363.94 g/mol
Exact Mass365.97
IUPAC Name6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole
SMILESCc1cc2cc3cc(C4=CC=CC4)[te]c3cc2s1
InChIInChI=1S/C16H12STe/c1-10-6-12-7-13-8-15(11-4-2-3-5-11)18-16(13)9-14(12)17-10/h2-4,6-9H,5H2,1H3
InChIKeyFNVDWTFYXSLHFW-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.94
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole?
The IUPAC name of 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole (CID 166512574) is 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole.
What is the SMILES notation for 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole?
The canonical SMILES for 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole is Cc1cc2cc3cc(C4=CC=CC4)[te]c3cc2s1.
What is the InChIKey of 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole?
The InChIKey is FNVDWTFYXSLHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12STe/c1-10-6-12-7-13-8-15(11-4-2-3-5-11)18-16(13)9-14(12)17-10/h2-4,6-9H,5H2,1H3.
What are the key properties of 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole?
6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole has a molecular weight of 363.94 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopenta-1,3-dien-1-yl-2-methyltelluropheno[3,2-f][1]benzothiole is sourced from PubChem (CID 166512574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).