Copper mercaptobenzothiazole
TL;DR: Copper mercaptobenzothiazole (CAS 4162-43-0) is a chemical compound with molecular formula C14H8CuN2S4 and molecular weight 394.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper bis(1,3-benzothiazole-2-thiolate)
Also Known As: Copper mercaptobenzothiazole, cupric 2-mercaptobenzothiazole, C7H5NS2.1/2Cu, 2(3H)-Benzothiazolethione, copper salt, Copper(II) benzo[d]thiazole-2-thiolate
| Molecular Formula | C14H8CuN2S4 |
|---|---|
| Molecular Weight | 394.89 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 | 394.88663 |
| Heavy Atoms | 21 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 4162-43-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Cu+2] |
| InChIKey | VURZAXVELVEAAN-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Copper mercaptobenzothiazole (CAS 4162-43-0), with molecular formula C14H8CuN2S4 and molecular weight 394.89 g/mol. IUPAC: copper bis(1,3-benzothiazole-2-thiolate).
Chemical Property Profile of Copper mercaptobenzothiazole
Property Insights of Copper mercaptobenzothiazole
The XLogP value of 4.4 indicates that Copper 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 Copper mercaptobenzothiazole. Following Lipinski's Rule of Five, Copper 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 Copper mercaptobenzothiazole?
The CAS number of Copper mercaptobenzothiazole is 4162-43-0.
What is the molecular formula of Copper mercaptobenzothiazole?
The molecular formula of Copper mercaptobenzothiazole is C14H8CuN2S4.
What is the molecular weight of Copper mercaptobenzothiazole?
The molecular weight of Copper mercaptobenzothiazole is 394.89 g/mol.
Where can I buy Copper mercaptobenzothiazole?
You can request a quote for Copper mercaptobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Copper mercaptobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for Copper mercaptobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.