2-(2,4-dimethylphenyl)ethynylthallium

C10H9Tl — CID 142762596

IUPAC2-(2,4-dimethylphenyl)ethynylthallium
SMILESCc1ccc(C#C[Tl])c(C)c1
InChIInChI=1S/C10H9.Tl/c1-4-10-6-5-8(2)7-9(10)3;/h5-7H,2-3H3;
InChIKeyJTFPAFCSULTOEV-UHFFFAOYSA-N
MW333.57 g/mol
LogP1.78
Rot. Bonds

About 2-(2,4-dimethylphenyl)ethynylthallium

2-(2,4-dimethylphenyl)ethynylthallium (PubChem CID 142762596) has the molecular formula C10H9Tl and a molecular weight of 333.57 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)ethynylthallium.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)ethynylthallium
PubChem CID142762596
Molecular FormulaC10H9Tl
Molecular Weight333.57 g/mol
Exact Mass334.04
IUPAC Name2-(2,4-dimethylphenyl)ethynylthallium
SMILESCc1ccc(C#C[Tl])c(C)c1
InChIInChI=1S/C10H9.Tl/c1-4-10-6-5-8(2)7-9(10)3;/h5-7H,2-3H3;
InChIKeyJTFPAFCSULTOEV-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.57
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)ethynylthallium?
The IUPAC name of 2-(2,4-dimethylphenyl)ethynylthallium (CID 142762596) is 2-(2,4-dimethylphenyl)ethynylthallium.
What is the SMILES notation for 2-(2,4-dimethylphenyl)ethynylthallium?
The canonical SMILES for 2-(2,4-dimethylphenyl)ethynylthallium is Cc1ccc(C#C[Tl])c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)ethynylthallium?
The InChIKey is JTFPAFCSULTOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.Tl/c1-4-10-6-5-8(2)7-9(10)3;/h5-7H,2-3H3;.
What are the key properties of 2-(2,4-dimethylphenyl)ethynylthallium?
2-(2,4-dimethylphenyl)ethynylthallium has a molecular weight of 333.57 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)ethynylthallium is sourced from PubChem (CID 142762596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).