Sodium 2-mercaptobenzothiazole
TL;DR: Sodium 2-mercaptobenzothiazole (CAS 2492-26-4) is a chemical compound with molecular formula C7H4NNaS2 and molecular weight 188.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1,3-benzothiazole-2-thiolate
Also Known As: Duodex, Sodium mercaptobenzothiazole, Nacap, Sodium MBT, SODIUM 2-MERCAPTOBENZOTHIAZOLE
| Molecular Formula | C7H4NNaS2 |
|---|---|
| Molecular Weight | 188.97 g/mol |
| LogP | -0.7939 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.96829 |
| Heavy Atoms | 11 |
| Complexity | 324.96805 |
Chemical Identifiers
| CAS Number | 2492-26-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)[S-].[Na+] |
Product Overview
Sodium 2-mercaptobenzothiazole (CAS 2492-26-4), with molecular formula C7H4NNaS2 and molecular weight 188.97 g/mol. IUPAC: sodium 1,3-benzothiazole-2-thiolate.
Chemical Property Profile of Sodium 2-mercaptobenzothiazole
Property Insights of Sodium 2-mercaptobenzothiazole
The XLogP value of -0.7939 indicates that Sodium 2-mercaptobenzothiazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.89 Ų, Sodium 2-mercaptobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 2-mercaptobenzothiazole has 0 hydrogen bond donor(s) and 3 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 Sodium 2-mercaptobenzothiazole?
The CAS number of Sodium 2-mercaptobenzothiazole is 2492-26-4.
What is the molecular formula of Sodium 2-mercaptobenzothiazole?
The molecular formula of Sodium 2-mercaptobenzothiazole is C7H4NNaS2.
What is the molecular weight of Sodium 2-mercaptobenzothiazole?
The molecular weight of Sodium 2-mercaptobenzothiazole is 188.97 g/mol.
Where can I buy Sodium 2-mercaptobenzothiazole?
You can request a quote for Sodium 2-mercaptobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 2-mercaptobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for Sodium 2-mercaptobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.