6-Chlorobenzothiazole-2-thiol
TL;DR: 6-Chlorobenzothiazole-2-thiol (CAS 51618-29-2) is a chemical compound with molecular formula C7H4ClNS2 and molecular weight 200.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3H-1,3-benzothiazole-2-thione
Also Known As: 6-Chlorobenzo[d]thiazole-2-thiol, 6-Chloro-2-mercaptobenzothiazole, 6-Chlorobenzothiazole-2-thiol, 2(3H)-Benzothiazolethione, 6-chloro-, 6-chloro-3H-1,3-benzothiazole-2-thione
| Molecular Formula | C7H4ClNS2 |
|---|---|
| Molecular Weight | 200.95 g/mol |
| LogP | 3.61229 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.94737 |
| Heavy Atoms | 11 |
| Complexity | 442.88245 |
Chemical Identifiers
| CAS Number | 51618-29-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)SC(=S)N2 |
Product Overview
6-Chlorobenzothiazole-2-thiol (CAS 51618-29-2), with molecular formula C7H4ClNS2 and molecular weight 200.95 g/mol. IUPAC: 6-chloro-3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 6-Chlorobenzothiazole-2-thiol
Property Insights of 6-Chlorobenzothiazole-2-thiol
The XLogP value of 3.61229 indicates that 6-Chlorobenzothiazole-2-thiol 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-Chlorobenzothiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chlorobenzothiazole-2-thiol 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-Chlorobenzothiazole-2-thiol?
The CAS number of 6-Chlorobenzothiazole-2-thiol is 51618-29-2.
What is the molecular formula of 6-Chlorobenzothiazole-2-thiol?
The molecular formula of 6-Chlorobenzothiazole-2-thiol is C7H4ClNS2.
What is the molecular weight of 6-Chlorobenzothiazole-2-thiol?
The molecular weight of 6-Chlorobenzothiazole-2-thiol is 200.95 g/mol.
Where can I buy 6-Chlorobenzothiazole-2-thiol?
You can request a quote for 6-Chlorobenzothiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chlorobenzothiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlorobenzothiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.