1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene

C15H14Br2O2STe — CID 10721275

IUPAC1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C\[Te](Br)(Br)c2ccccc2)cc1
InChIInChI=1S/C15H14Br2O2STe/c1-13-7-9-14(10-8-13)20(18,19)11-12-21(16,17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11-
InChIKeyZRTBPMNYVQMSBM-QXMHVHEDSA-N
MW545.75 g/mol
LogP3.96
Rot. Bonds4

About 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene

1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene (PubChem CID 10721275) has the molecular formula C15H14Br2O2STe and a molecular weight of 545.75 g/mol. Its IUPAC name is 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene
PubChem CID10721275
Molecular FormulaC15H14Br2O2STe
Molecular Weight545.75 g/mol
Exact Mass545.81
IUPAC Name1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C\[Te](Br)(Br)c2ccccc2)cc1
InChIInChI=1S/C15H14Br2O2STe/c1-13-7-9-14(10-8-13)20(18,19)11-12-21(16,17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11-
InChIKeyZRTBPMNYVQMSBM-QXMHVHEDSA-N
XLogP3.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.75
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene (CID 10721275) is 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)/C=C\[Te](Br)(Br)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene?
The InChIKey is ZRTBPMNYVQMSBM-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H14Br2O2STe/c1-13-7-9-14(10-8-13)20(18,19)11-12-21(16,17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11-.
What are the key properties of 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene?
1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene has a molecular weight of 545.75 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-[dibromo(phenyl)-lambda4-tellanyl]ethenyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 10721275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).