tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc

C136H104Be4N12O12S6Zn+8 — CID 159643670

About tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc

tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc (PubChem CID 159643670) has the molecular formula C136H104Be4N12O12S6Zn+8 and a molecular weight of 2392.24 g/mol. Its IUPAC name is tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc.

Molecular Properties

• Compound Name: tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc
• PubChem CID: 159643670
• Molecular Formula: C136H104Be4N12O12S6Zn+8
• Molecular Weight: 2392.24 g/mol
• Exact Mass: 2388.60
• IUPAC Name: tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc
• SMILES: Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cn1c(-c2ccccc2[O-])[nH+]c2ccccc21.Cn1c(-c2ccccc2[O-])[nH+]c2ccccc21.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[Zn]
• InChI: InChI=1S/2C14H12N2O.4C14H11NOS.2C13H9NO2.2C13H9NOS.4Be.Zn/c2*1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17;4*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;4*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;;;/h2*2-9,17H,1H3;4*2-8,16H,1H3;4*1-8,15H;;;;;/q;;;;;;;;;;4*+2
• InChIKey: JWVQNUQIOKOFDU-UHFFFAOYSA-N
• XLogP: 24.31
• TPSA: 399.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2392.24
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc?

The IUPAC name of tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc (CID 159643670) is tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc.

What is the SMILES notation for tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc?

The canonical SMILES for tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc is Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cn1c(-c2ccccc2[O-])[nH+]c2ccccc21.Cn1c(-c2ccccc2[O-])[nH+]c2ccccc21.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[Zn].

What is the InChIKey of tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc?

The InChIKey is JWVQNUQIOKOFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2O.4C14H11NOS.2C13H9NO2.2C13H9NOS.4Be.Zn/c2*1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17;4*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;4*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;;;/h2*2-9,17H,1H3;4*2-8,16H,1H3;4*1-8,15H;;;;;/q;;;;;;;;;;4*+2;.

What are the key properties of tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc?

tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc has a molecular weight of 2392.24 g/mol, XLogP of 24.31, 10 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tetraberyllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzoxazol-3-ium-2-yl)phenolate);bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate);zinc is sourced from PubChem (CID 159643670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).