4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide
TL;DR: 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide (CAS 7341-89-1) is a chemical compound with molecular formula C13H9ClN2O2S3 and molecular weight 355.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonamide
Also Known As: EINECS 230-856-2, 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide, 4'-Chloro-2-mercapto-5-benzothiazolesulfonanilide, N-(4-Chlorophenyl)-2-mercapto-5-benzothiazolesulfonamide, N-(4-Chlorophenyl)-2-mercaptobenzothiazole-5-sulfonamide
| Molecular Formula | C13H9ClN2O2S3 |
|---|---|
| Molecular Weight | 355.95 g/mol |
| LogP | 4.41309 |
| Topological Polar Surface Area | 61.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.95148 |
| Heavy Atoms | 21 |
| Complexity | 958.9951 |
Chemical Identifiers
| CAS Number | 7341-89-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)SC(=S)N3)Cl |
Product Overview
4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide (CAS 7341-89-1), with molecular formula C13H9ClN2O2S3 and molecular weight 355.95 g/mol. IUPAC: N-(4-chlorophenyl)-2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonamide.
Chemical Property Profile of 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide
Property Insights of 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide
The XLogP value of 4.41309 indicates that 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide. Following Lipinski's Rule of Five, 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide has 2 hydrogen bond donor(s) and 4 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 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide?
The CAS number of 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide is 7341-89-1.
What is the molecular formula of 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide?
The molecular formula of 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide is C13H9ClN2O2S3.
What is the molecular weight of 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide?
The molecular weight of 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide is 355.95 g/mol.
Where can I buy 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide?
You can request a quote for 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.