3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate

C11H15O3STe- — CID 139265776

IUPAC3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate
SMILESCc1cccc(C)c1[Te]CCCS(=O)(=O)[O-]
InChIInChI=1S/C11H16O3STe/c1-9-5-3-6-10(2)11(9)16-8-4-7-15(12,13)14/h3,5-6H,4,7-8H2,1-2H3,(H,12,13,14)/p-1
InChIKeyQKMCFARUAUBYAF-UHFFFAOYSA-M
MW354.91 g/mol
LogP0.99
Rot. Bonds5

About 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate

3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate (PubChem CID 139265776) has the molecular formula C11H15O3STe- and a molecular weight of 354.91 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate
PubChem CID139265776
Molecular FormulaC11H15O3STe-
Molecular Weight354.91 g/mol
Exact Mass356.98
IUPAC Name3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate
SMILESCc1cccc(C)c1[Te]CCCS(=O)(=O)[O-]
InChIInChI=1S/C11H16O3STe/c1-9-5-3-6-10(2)11(9)16-8-4-7-15(12,13)14/h3,5-6H,4,7-8H2,1-2H3,(H,12,13,14)/p-1
InChIKeyQKMCFARUAUBYAF-UHFFFAOYSA-M
XLogP0.99
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.91
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate
CID 139264896
6,7-bis[(2,6-dimethylphenyl)imino]octane-1-sulfonate
CID 101119582
2,6-dimethylbenzenesulfonate
CID 3015432
potassium 2,6-dimethylbenzenesulfonate
CID 23703042
(2R)-2-azaniumyl-3-(2,6-dimethylphenyl)propanoate
CID 86308791
2-(2,6-dimethylphenyl)ethanesulfonamide
CID 13480198
undecane-1,11-disulfonate
CID 23618255
propane-1,3-disulfonate;silver
CID 87079724
3-(4-diphenylsulfonio-2,6-dimethylphenoxy)propane-1-sulfonate
CID 140669464
lithium butane-1-sulfonate
CID 23684871
sodium;benzene;dodecane-1-sulfonate
CID 87709853
(2,6-dimethylphenyl)methanesulfonamide
CID 23161120

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate?
The IUPAC name of 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate (CID 139265776) is 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate.
What is the SMILES notation for 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate?
The canonical SMILES for 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate is Cc1cccc(C)c1[Te]CCCS(=O)(=O)[O-].
What is the InChIKey of 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate?
The InChIKey is QKMCFARUAUBYAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16O3STe/c1-9-5-3-6-10(2)11(9)16-8-4-7-15(12,13)14/h3,5-6H,4,7-8H2,1-2H3,(H,12,13,14)/p-1.
What are the key properties of 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate?
3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate has a molecular weight of 354.91 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate is sourced from PubChem (CID 139265776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).