zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc

C116H77N9O7S7Zn4-2 — CID 157492627

About zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc

zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc (PubChem CID 157492627) has the molecular formula C116H77N9O7S7Zn4-2 and a molecular weight of 2194.98 g/mol. Its IUPAC name is zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc.

Molecular Properties

• Compound Name: zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc
• PubChem CID: 157492627
• Molecular Formula: C116H77N9O7S7Zn4-2
• Molecular Weight: 2194.98 g/mol
• Exact Mass: 2187.12
• IUPAC Name: zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc
• SMILES: Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.[S-]c1ccc2ccccc2c1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2o1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn].[Zn].[Zn]
• InChI: InChI=1S/C19H14N2O.C17H11NOS.C17H11NS2.2C13H9NO2.C13H9NOS.C13H9NS2.C11H9NS.4Zn/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;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;;;;/h1-13,22H;2*1-10,19H;2*1-8,15H;1-8,16H;1-8,15H;1-8,13H;;;;/q;;;;;;;;;;;+2/p-4
• InChIKey: BKVZKPQFXWCWKW-UHFFFAOYSA-J
• XLogP: 30.56
• TPSA: 228.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.98
LogP ≤ 5	30.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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 zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc?

The IUPAC name of zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc (CID 157492627) is zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc.

What is the SMILES notation for zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc?

The canonical SMILES for zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc is Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.[S-]c1ccc2ccccc2c1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2o1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn].[Zn].[Zn].

What is the InChIKey of zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc?

The InChIKey is BKVZKPQFXWCWKW-UHFFFAOYSA-J. The full InChI is InChI=1S/C19H14N2O.C17H11NOS.C17H11NS2.2C13H9NO2.C13H9NOS.C13H9NS2.C11H9NS.4Zn/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;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;;;;/h1-13,22H;2*1-10,19H;2*1-8,15H;1-8,16H;1-8,15H;1-8,13H;;;;/q;;;;;;;;;;;+2/p-4.

What are the key properties of zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc?

zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc has a molecular weight of 2194.98 g/mol, XLogP of 30.56, 9 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc is sourced from PubChem (CID 157492627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).