7-Chloro-2-mercaptobenzoxazole
TL;DR: 7-Chloro-2-mercaptobenzoxazole (CAS 51793-93-2) is a chemical compound with molecular formula C7H4ClNOS and molecular weight 184.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3H-1,3-benzoxazole-2-thione
Also Known As: 7-Chloro-2-mercaptobenzoxazole, 7-chloro-1,3-benzoxazole-2-thiol, 7-CHLOROBENZO[D]OXAZOLE-2-THIOL, 7-chloro-3H-1,3-benzoxazole-2-thione, 7-Chlorobenzo[d]oxazole-2(3H)-thione
| Molecular Formula | C7H4ClNOS |
|---|---|
| Molecular Weight | 184.97 g/mol |
| LogP | 3.14379 |
| Topological Polar Surface Area | 28.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.97021 |
| Heavy Atoms | 11 |
| Complexity | 444.88245 |
Chemical Identifiers
| CAS Number | 51793-93-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)OC(=S)N2 |
Product Overview
7-Chloro-2-mercaptobenzoxazole (CAS 51793-93-2), with molecular formula C7H4ClNOS and molecular weight 184.97 g/mol. IUPAC: 7-chloro-3H-1,3-benzoxazole-2-thione.
Chemical Property Profile of 7-Chloro-2-mercaptobenzoxazole
Property Insights of 7-Chloro-2-mercaptobenzoxazole
The XLogP value of 3.14379 indicates that 7-Chloro-2-mercaptobenzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.93 Ų, 7-Chloro-2-mercaptobenzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-2-mercaptobenzoxazole 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 7-Chloro-2-mercaptobenzoxazole?
The CAS number of 7-Chloro-2-mercaptobenzoxazole is 51793-93-2.
What is the molecular formula of 7-Chloro-2-mercaptobenzoxazole?
The molecular formula of 7-Chloro-2-mercaptobenzoxazole is C7H4ClNOS.
What is the molecular weight of 7-Chloro-2-mercaptobenzoxazole?
The molecular weight of 7-Chloro-2-mercaptobenzoxazole is 184.97 g/mol.
Where can I buy 7-Chloro-2-mercaptobenzoxazole?
You can request a quote for 7-Chloro-2-mercaptobenzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-2-mercaptobenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-2-mercaptobenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.