(4-bromo-2-ethanimidoylanilino)thallium;ethane

C10H14BrN2Tl — CID 144844659

IUPAC(4-bromo-2-ethanimidoylanilino)thallium;ethane
SMILESCC.[H]/N=C(\C)c1cc(Br)ccc1N[Tl]
InChIInChI=1S/C8H8BrN2.C2H6.Tl/c1-5(10)7-4-6(9)2-3-8(7)11;1-2;/h2-4,10-11H,1H3;1-2H3;/q-1;;+1/b10-5+;;
InChIKeyVNARPIMFTZBWED-XKYXOGKGSA-N
MW446.52 g/mol
LogP3.36
Rot. Bonds2

About (4-bromo-2-ethanimidoylanilino)thallium;ethane

(4-bromo-2-ethanimidoylanilino)thallium;ethane (PubChem CID 144844659) has the molecular formula C10H14BrN2Tl and a molecular weight of 446.52 g/mol. Its IUPAC name is (4-bromo-2-ethanimidoylanilino)thallium;ethane.

Molecular Properties

Compound Name(4-bromo-2-ethanimidoylanilino)thallium;ethane
PubChem CID144844659
Molecular FormulaC10H14BrN2Tl
Molecular Weight446.52 g/mol
Exact Mass446.01
IUPAC Name(4-bromo-2-ethanimidoylanilino)thallium;ethane
SMILESCC.[H]/N=C(\C)c1cc(Br)ccc1N[Tl]
InChIInChI=1S/C8H8BrN2.C2H6.Tl/c1-5(10)7-4-6(9)2-3-8(7)11;1-2;/h2-4,10-11H,1H3;1-2H3;/q-1;;+1/b10-5+;;
InChIKeyVNARPIMFTZBWED-XKYXOGKGSA-N
XLogP3.36
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline
CID 143308609
1-(4-bromo-2-nitrophenyl)ethanimine
CID 90202118
4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
CID 144540373
3-ethanimidoyl-4-(methylamino)benzaldehyde
CID 171520476
4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
CID 145094809
2-(4-chloro-2-ethanimidoylanilino)ethanol
CID 144653845
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
4-bromo-2-diazenyl-N-methylaniline
CID 149374593
4-bromo-2-(tert-butylamino)benzenecarboximidamide
CID 114904558
4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide
CID 167273660
(Z)-2-[5-bromo-2-(methylamino)phenyl]but-2-enal;ethane
CID 143263053

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-ethanimidoylanilino)thallium;ethane?
The IUPAC name of (4-bromo-2-ethanimidoylanilino)thallium;ethane (CID 144844659) is (4-bromo-2-ethanimidoylanilino)thallium;ethane.
What is the SMILES notation for (4-bromo-2-ethanimidoylanilino)thallium;ethane?
The canonical SMILES for (4-bromo-2-ethanimidoylanilino)thallium;ethane is CC.[H]/N=C(\C)c1cc(Br)ccc1N[Tl].
What is the InChIKey of (4-bromo-2-ethanimidoylanilino)thallium;ethane?
The InChIKey is VNARPIMFTZBWED-XKYXOGKGSA-N. The full InChI is InChI=1S/C8H8BrN2.C2H6.Tl/c1-5(10)7-4-6(9)2-3-8(7)11;1-2;/h2-4,10-11H,1H3;1-2H3;/q-1;;+1/b10-5+;;.
What are the key properties of (4-bromo-2-ethanimidoylanilino)thallium;ethane?
(4-bromo-2-ethanimidoylanilino)thallium;ethane has a molecular weight of 446.52 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-ethanimidoylanilino)thallium;ethane is sourced from PubChem (CID 144844659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).