4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium

C15H17ClO3STe — CID 10575097

IUPAC4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium
SMILESCC[Te+](C)c1ccccc1.O=S(=O)([O-])c1ccc(Cl)cc1
InChIInChI=1S/C9H13Te.C6H5ClO3S/c1-3-10(2)9-7-5-4-6-8-9;7-5-1-3-6(4-2-5)11(8,9)10/h4-8H,3H2,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1
InChIKeyZEQWCHCWGXSBRU-UHFFFAOYSA-M
MW440.42 g/mol
LogP3.28
Rot. Bonds3

About 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium

4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium (PubChem CID 10575097) has the molecular formula C15H17ClO3STe and a molecular weight of 440.42 g/mol. Its IUPAC name is 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium.

Molecular Properties

Compound Name4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium
PubChem CID10575097
Molecular FormulaC15H17ClO3STe
Molecular Weight440.42 g/mol
Exact Mass441.96
IUPAC Name4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium
SMILESCC[Te+](C)c1ccccc1.O=S(=O)([O-])c1ccc(Cl)cc1
InChIInChI=1S/C9H13Te.C6H5ClO3S/c1-3-10(2)9-7-5-4-6-8-9;7-5-1-3-6(4-2-5)11(8,9)10/h4-8H,3H2,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1
InChIKeyZEQWCHCWGXSBRU-UHFFFAOYSA-M
XLogP3.28
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium?
The IUPAC name of 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium (CID 10575097) is 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium.
What is the SMILES notation for 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium?
The canonical SMILES for 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium is CC[Te+](C)c1ccccc1.O=S(=O)([O-])c1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium?
The InChIKey is ZEQWCHCWGXSBRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13Te.C6H5ClO3S/c1-3-10(2)9-7-5-4-6-8-9;7-5-1-3-6(4-2-5)11(8,9)10/h4-8H,3H2,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1.
What are the key properties of 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium?
4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium has a molecular weight of 440.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzenesulfonate;ethyl-methyl-phenyltellanium is sourced from PubChem (CID 10575097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).