N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-)

C28H36Cl4N8OS2Zn — CID 130422079

About N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-)

N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-) (PubChem CID 130422079) has the molecular formula C28H36Cl4N8OS2Zn and a molecular weight of 771.99 g/mol. Its IUPAC name is N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-).

Molecular Properties

• Compound Name: N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-)
• PubChem CID: 130422079
• Molecular Formula: C28H36Cl4N8OS2Zn
• Molecular Weight: 771.99 g/mol
• Exact Mass: 768.05
• IUPAC Name: N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-)
• SMILES: CCN(CCOCCN(CC)c1ccc(/N=N/c2scc[n+]2C)cc1)c1ccc(/N=N/c2scc[n+]2C)cc1.Cl[Zn-2](Cl)(Cl)Cl
• InChI: InChI=1S/C28H36N8OS2.4ClH.Zn/c1-5-35(25-11-7-23(8-12-25)29-31-27-33(3)17-21-38-27)15-19-37-20-16-36(6-2)26-13-9-24(10-14-26)30-32-28-34(4)18-22-39-28;;;;;/h7-14,17-18,21-22H,5-6,15-16,19-20H2,1-4H3;4*1H;/q+2;;;;;+2/p-4
• InChIKey: ZLGBPYLJQUKYHW-UHFFFAOYSA-J
• XLogP: 9.41
• TPSA: 72.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.99
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-)?

The IUPAC name of N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-) (CID 130422079) is N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-).

What is the SMILES notation for N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-)?

The canonical SMILES for N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-) is CCN(CCOCCN(CC)c1ccc(/N=N/c2scc[n+]2C)cc1)c1ccc(/N=N/c2scc[n+]2C)cc1.Cl[Zn-2](Cl)(Cl)Cl.

What is the InChIKey of N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-)?

The InChIKey is ZLGBPYLJQUKYHW-UHFFFAOYSA-J. The full InChI is InChI=1S/C28H36N8OS2.4ClH.Zn/c1-5-35(25-11-7-23(8-12-25)29-31-27-33(3)17-21-38-27)15-19-37-20-16-36(6-2)26-13-9-24(10-14-26)30-32-28-34(4)18-22-39-28;;;;;/h7-14,17-18,21-22H,5-6,15-16,19-20H2,1-4H3;4*1H;/q+2;;;;;+2/p-4.

What are the key properties of N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-)?

N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-) has a molecular weight of 771.99 g/mol, XLogP of 9.41, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;tetrachlorozinc(2-) is sourced from PubChem (CID 130422079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).