diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc

C163H122Be2F2N11O4S16Si2Zn3+3 — CID 162273998

About diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc

diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc (PubChem CID 162273998) has the molecular formula C163H122Be2F2N11O4S16Si2Zn3+3 and a molecular weight of 3120.28 g/mol. Its IUPAC name is diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc.

Molecular Properties

• Compound Name: diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc
• PubChem CID: 162273998
• Molecular Formula: C163H122Be2F2N11O4S16Si2Zn3+3
• Molecular Weight: 3120.28 g/mol
• Exact Mass: 3112.28
• IUPAC Name: diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc
• SMILES: C[SiH](C)Cc1ccc([S-])c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([S-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([S-])c(-c2nc3ccccc3s2)c1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn]
• InChI: InChI=1S/C25H18N2S2.C19H13NOS.C19H13NS2.2C16H17NS2Si.C14H11NOS.2C14H11NS2.2C13H8FNOS.2Be.3Zn/c28-23-16-15-20(17-21(23)25-26-22-13-7-8-14-24(22)29-25)27(18-9-3-1-4-10-18)19-11-5-2-6-12-19;2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;1-20(2)10-11-7-8-14(18)12(9-11)16-17-13-5-3-4-6-15(13)19-16;3*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;2*14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13;;;;;/h1-17,28H;2*1-12,21H;4-10,18H,1-3H3;3-9,18,20H,10H2,1-2H3;3*2-8,16H,1H3;2*1-7,16H;;;;;/q;;;;;;;;;;2*+2;;2*+2/p-5
• InChIKey: VBXMGIIRFBVNRP-UHFFFAOYSA-I
• XLogP: 42.02
• TPSA: 226.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3120.28
LogP ≤ 5	42.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc?

The IUPAC name of diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc (CID 162273998) is diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc.

What is the SMILES notation for diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc?

The canonical SMILES for diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc is C[SiH](C)Cc1ccc([S-])c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([S-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([S-])c(-c2nc3ccccc3s2)c1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].

What is the InChIKey of diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc?

The InChIKey is VBXMGIIRFBVNRP-UHFFFAOYSA-I. The full InChI is InChI=1S/C25H18N2S2.C19H13NOS.C19H13NS2.2C16H17NS2Si.C14H11NOS.2C14H11NS2.2C13H8FNOS.2Be.3Zn/c28-23-16-15-20(17-21(23)25-26-22-13-7-8-14-24(22)29-25)27(18-9-3-1-4-10-18)19-11-5-2-6-12-19;2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;1-20(2)10-11-7-8-14(18)12(9-11)16-17-13-5-3-4-6-15(13)19-16;3*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;2*14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13;;;;;/h1-17,28H;2*1-12,21H;4-10,18H,1-3H3;3-9,18,20H,10H2,1-2H3;3*2-8,16H,1H3;2*1-7,16H;;;;;/q;;;;;;;;;;2*+2;;2*+2/p-5.

What are the key properties of diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc?

diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc has a molecular weight of 3120.28 g/mol, XLogP of 42.02, 18 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-(dimethylsilylmethyl)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;zinc is sourced from PubChem (CID 162273998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).