Zinc mercaptobenzothiazole
TL;DR: Zinc mercaptobenzothiazole (CAS 155-04-4) is a chemical compound with molecular formula C14H8N2S4Zn and molecular weight 395.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
zinc bis(1,3-benzothiazole-2-thiolate)
Also Known As: Zinc 2-mercaptobenzothiazole, Bantex, Zenite, Zetax, Zenite special
| Molecular Formula | C14H8N2S4Zn |
|---|---|
| Molecular Weight | 395.89 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 395.88617 |
| Heavy Atoms | 21 |
| Complexity | 129.0 |
| Density | 1.7 AT 25 °C |
Chemical Identifiers
| CAS Number | 155-04-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2] |
| InChIKey | PGNWIWKMXVDXHP-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zinc mercaptobenzothiazole (CAS 155-04-4), with molecular formula C14H8N2S4Zn and molecular weight 395.89 g/mol. IUPAC: zinc bis(1,3-benzothiazole-2-thiolate).
Chemical Property Profile of Zinc mercaptobenzothiazole
Property Insights of Zinc mercaptobenzothiazole
The XLogP value of 4.4 indicates that Zinc mercaptobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Zinc mercaptobenzothiazole. Following Lipinski's Rule of Five, Zinc mercaptobenzothiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Zinc mercaptobenzothiazole?
The CAS number of Zinc mercaptobenzothiazole is 155-04-4.
What is the molecular formula of Zinc mercaptobenzothiazole?
The molecular formula of Zinc mercaptobenzothiazole is C14H8N2S4Zn.
What is the molecular weight of Zinc mercaptobenzothiazole?
The molecular weight of Zinc mercaptobenzothiazole is 395.89 g/mol.
Where can I buy Zinc mercaptobenzothiazole?
You can request a quote for Zinc mercaptobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zinc mercaptobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for Zinc mercaptobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.