2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone

C12H10Br2O2S2Te — CID 177424685

IUPAC2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
SMILESO=C(C[Te](Br)(Br)CC(=O)c1cccs1)c1cccs1
InChIInChI=1S/C12H10Br2O2S2Te/c13-19(14,7-9(15)11-3-1-5-17-11)8-10(16)12-4-2-6-18-12/h1-6H,7-8H2
InChIKeyRXNDRQQHKPILTN-UHFFFAOYSA-N
MW537.75 g/mol
LogP5.11
Rot. Bonds6

About 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone

2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone (PubChem CID 177424685) has the molecular formula C12H10Br2O2S2Te and a molecular weight of 537.75 g/mol. Its IUPAC name is 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
PubChem CID177424685
Molecular FormulaC12H10Br2O2S2Te
Molecular Weight537.75 g/mol
Exact Mass537.76
IUPAC Name2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
SMILESO=C(C[Te](Br)(Br)CC(=O)c1cccs1)c1cccs1
InChIInChI=1S/C12H10Br2O2S2Te/c13-19(14,7-9(15)11-3-1-5-17-11)8-10(16)12-4-2-6-18-12/h1-6H,7-8H2
InChIKeyRXNDRQQHKPILTN-UHFFFAOYSA-N
XLogP5.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.75
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone with MolForge

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Related Compounds

1-thiophen-2-ylpropan-1-one
CID 26179
europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 157335642
2,4-dioxo-4-thiophen-2-ylbutanoic acid
CID 2771674
dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
CID 5200476
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
2-(4-bromophenyl)-1-thiophen-2-ylethanone
CID 12751639
sodium thiophene-2-carboxylate
CID 23672340
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-thiophen-2-ylpropan-1-one
CID 132558418
1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363401
2-dimethoxyphosphoryl-1-thiophen-2-ylethanone
CID 21329773
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435

Frequently Asked Questions

What is the IUPAC name of 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone (CID 177424685) is 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone is O=C(C[Te](Br)(Br)CC(=O)c1cccs1)c1cccs1.
What is the InChIKey of 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone?
The InChIKey is RXNDRQQHKPILTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O2S2Te/c13-19(14,7-9(15)11-3-1-5-17-11)8-10(16)12-4-2-6-18-12/h1-6H,7-8H2.
What are the key properties of 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone?
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone has a molecular weight of 537.75 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 177424685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).