2-Mercaptobenzoxazole
TL;DR: 2-Mercaptobenzoxazole (CAS 23938-97-8) is a chemical compound with molecular formula C7H5NOS and molecular weight 151.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1,3-benzoxazole-2-thione
Also Known As: 2-Mercaptobenzoxazole, benzo[d]oxazole-2-thiol, 2-BENZOXAZOLETHIOL, 2(3H)-Benzoxazolethione, Benzoxazolinethione
| Molecular Formula | C7H5NOS |
|---|---|
| Molecular Weight | 151.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.00919 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 23938-97-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=S)O2 |
| InChIKey | FLFWJIBUZQARMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercaptobenzoxazole (CAS 23938-97-8), with molecular formula C7H5NOS and molecular weight 151.01 g/mol. IUPAC: 3H-1,3-benzoxazole-2-thione.
Chemical Property Profile of 2-Mercaptobenzoxazole
Property Insights of 2-Mercaptobenzoxazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptobenzoxazole. With a topological polar surface area (TPSA) of 53.4 Ų, 2-Mercaptobenzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 2-Mercaptobenzoxazole?
The CAS number of 2-Mercaptobenzoxazole is 23938-97-8.
What is the molecular formula of 2-Mercaptobenzoxazole?
The molecular formula of 2-Mercaptobenzoxazole is C7H5NOS.
What is the molecular weight of 2-Mercaptobenzoxazole?
The molecular weight of 2-Mercaptobenzoxazole is 151.01 g/mol.
Where can I buy 2-Mercaptobenzoxazole?
You can request a quote for 2-Mercaptobenzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptobenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptobenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.