dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc

C122H81F2N10O3S9Zn4- — CID 157076811

About dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc

dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc (PubChem CID 157076811) has the molecular formula C122H81F2N10O3S9Zn4- and a molecular weight of 2323.22 g/mol. Its IUPAC name is dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc.

Molecular Properties

• Compound Name: dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc
• PubChem CID: 157076811
• Molecular Formula: C122H81F2N10O3S9Zn4-
• Molecular Weight: 2323.22 g/mol
• Exact Mass: 2315.11
• IUPAC Name: dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc
• SMILES: Fc1ccc(-c2ccc([S-])c(-c3nc4ccccc4s3)c2)cc1.Fc1ccc(-c2ccc([S-])c(-c3nc4ccccc4s3)c2)cc1.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].[Zn]
• InChI: InChI=1S/2C19H12FNS2.C19H14N2O.C19H14N2S.C13H9NOS.C13H9NS2.C11H9NS.C9H7NO.4Zn/c2*20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19;2*22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h2*1-11,22H;2*1-13,22H;2*1-8,15H;1-8,13H;1-6,11H;;;;/q;;;;;;;;;;2*+2/p-5
• InChIKey: QKYGNVNAOOHFEG-UHFFFAOYSA-I
• XLogP: 32.47
• TPSA: 173.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2323.22
LogP ≤ 5	32.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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 dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc?

The IUPAC name of dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc (CID 157076811) is dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc.

What is the SMILES notation for dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc?

The canonical SMILES for dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc is Fc1ccc(-c2ccc([S-])c(-c3nc4ccccc4s3)c2)cc1.Fc1ccc(-c2ccc([S-])c(-c3nc4ccccc4s3)c2)cc1.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].[Zn].

What is the InChIKey of dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc?

The InChIKey is QKYGNVNAOOHFEG-UHFFFAOYSA-I. The full InChI is InChI=1S/2C19H12FNS2.C19H14N2O.C19H14N2S.C13H9NOS.C13H9NS2.C11H9NS.C9H7NO.4Zn/c2*20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19;2*22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h2*1-11,22H;2*1-13,22H;2*1-8,15H;1-8,13H;1-6,11H;;;;/q;;;;;;;;;;2*+2/p-5.

What are the key properties of dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc?

dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc has a molecular weight of 2323.22 g/mol, XLogP of 32.47, 11 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;quinolin-8-ol;zinc is sourced from PubChem (CID 157076811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).