6-Chloro-2-mercapto-4-methylbenzothiazole
TL;DR: 6-Chloro-2-mercapto-4-methylbenzothiazole (CAS 95374-01-9) is a chemical compound with molecular formula C8H6ClNS2 and molecular weight 214.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-methyl-3H-1,3-benzothiazole-2-thione
Also Known As: 6-chloro-2-mercapto-4-methylbenzothiazole, 2(3H)-Benzothiazolethione, 6-chloro-4-methyl-, 6-chloro-4-methylbenzo[d]thiazole-2(3H)-thione, 6-chloro-4-methyl-3H-1,3-benzothiazole-2-thione, 2(3H)-Benzothiazolethione, 6-chloro-4-methyl- (9CI)
| Molecular Formula | C8H6ClNS2 |
|---|---|
| Molecular Weight | 214.96 g/mol |
| LogP | 3.92071 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.96301 |
| Heavy Atoms | 12 |
| Complexity | 483.25378 |
Chemical Identifiers
| CAS Number | 95374-01-9 |
|---|---|
| SMILES | CC1=CC(=CC2=C1NC(=S)S2)Cl |
Product Overview
6-Chloro-2-mercapto-4-methylbenzothiazole (CAS 95374-01-9), with molecular formula C8H6ClNS2 and molecular weight 214.96 g/mol. IUPAC: 6-chloro-4-methyl-3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 6-Chloro-2-mercapto-4-methylbenzothiazole
Property Insights of 6-Chloro-2-mercapto-4-methylbenzothiazole
The XLogP value of 3.92071 indicates that 6-Chloro-2-mercapto-4-methylbenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 6-Chloro-2-mercapto-4-methylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-mercapto-4-methylbenzothiazole has 1 hydrogen bond donor(s) and 2 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 6-Chloro-2-mercapto-4-methylbenzothiazole?
The CAS number of 6-Chloro-2-mercapto-4-methylbenzothiazole is 95374-01-9.
What is the molecular formula of 6-Chloro-2-mercapto-4-methylbenzothiazole?
The molecular formula of 6-Chloro-2-mercapto-4-methylbenzothiazole is C8H6ClNS2.
What is the molecular weight of 6-Chloro-2-mercapto-4-methylbenzothiazole?
The molecular weight of 6-Chloro-2-mercapto-4-methylbenzothiazole is 214.96 g/mol.
Where can I buy 6-Chloro-2-mercapto-4-methylbenzothiazole?
You can request a quote for 6-Chloro-2-mercapto-4-methylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-mercapto-4-methylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-mercapto-4-methylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.