(trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate

C7H7Cl3O3STe — CID 14508313

IUPAC(trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)O[Te](Cl)(Cl)Cl)cc1
InChIInChI=1S/C7H7Cl3O3STe/c1-6-2-4-7(5-3-6)14(11,12)13-15(8,9)10/h2-5H,1H3
InChIKeyKEHWPQWYLOXBOE-UHFFFAOYSA-N
MW405.16 g/mol
LogP2.85
Rot. Bonds3

About (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate

(trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate (PubChem CID 14508313) has the molecular formula C7H7Cl3O3STe and a molecular weight of 405.16 g/mol. Its IUPAC name is (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate.

Molecular Properties

Compound Name(trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate
PubChem CID14508313
Molecular FormulaC7H7Cl3O3STe
Molecular Weight405.16 g/mol
Exact Mass405.82
IUPAC Name(trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)O[Te](Cl)(Cl)Cl)cc1
InChIInChI=1S/C7H7Cl3O3STe/c1-6-2-4-7(5-3-6)14(11,12)13-15(8,9)10/h2-5H,1H3
InChIKeyKEHWPQWYLOXBOE-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanidyl 4-methylbenzenesulfonate;rutherfordium
CID 169042179
bis-(4-methylphenyl)sulfonyloxystibanyl 4-methylbenzenesulfonate
CID 16703717
silyloxy 4-methylbenzenesulfonate
CID 131716836
methyl 4-methylbenzenesulfonate;hydrofluoride
CID 158630886
methyl 4-methylbenzenesulfonate;phosphane
CID 87524862
amino 4-methylbenzenesulfonate
CID 10965249
methyl 4-methylbenzenesulfonate;zinc
CID 174756808
(4-methylphenyl)sulfonyl sulfate
CID 23103740
bis-(4-methylphenyl)sulfonyloxybismuthanyl 4-methylbenzenesulfonate
CID 140663364
[(2R)-3-fluoro-3-methylbutan-2-yl] 4-methylbenzenesulfonate
CID 134895663
methyl methanesulfonate;bis(methyl 4-methylbenzenesulfonate)
CID 159322206
deuteriomethyl 4-methylbenzenesulfonate
CID 129134824

Frequently Asked Questions

What is the IUPAC name of (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate?
The IUPAC name of (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate (CID 14508313) is (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate.
What is the SMILES notation for (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate?
The canonical SMILES for (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)O[Te](Cl)(Cl)Cl)cc1.
What is the InChIKey of (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate?
The InChIKey is KEHWPQWYLOXBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl3O3STe/c1-6-2-4-7(5-3-6)14(11,12)13-15(8,9)10/h2-5H,1H3.
What are the key properties of (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate?
(trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate has a molecular weight of 405.16 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate is sourced from PubChem (CID 14508313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).