5,7-Dichloro-2(3H)-benzoxazolethione
TL;DR: 5,7-Dichloro-2(3H)-benzoxazolethione (CAS 98279-11-9) is a chemical compound with molecular formula C7H3Cl2NOS and molecular weight 218.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dichloro-3H-1,3-benzoxazole-2-thione
Also Known As: 5,7-dichloro-1,3-benzoxazole-2-thiol, 5,7-Dichlorobenzoxazole-2(3H)-thione, 5,7-Dichlorobenzo[d]oxazole-2-thiol, 5,7-dichloro-2-mercaptobenzoxazole, 5,7-dichlorobenzoxazole-2-thiol
| Molecular Formula | C7H3Cl2NOS |
|---|---|
| Molecular Weight | 218.93 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.93124 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 98279-11-9 |
|---|---|
| SMILES | C1=C(C=C(C2=C1NC(=S)O2)Cl)Cl |
| InChIKey | MSZMZTZSFPXXAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,7-Dichloro-2(3H)-benzoxazolethione (CAS 98279-11-9), with molecular formula C7H3Cl2NOS and molecular weight 218.93 g/mol. IUPAC: 5,7-dichloro-3H-1,3-benzoxazole-2-thione.
Chemical Property Profile of 5,7-Dichloro-2(3H)-benzoxazolethione
Property Insights of 5,7-Dichloro-2(3H)-benzoxazolethione
The XLogP value of 3.0 indicates that 5,7-Dichloro-2(3H)-benzoxazolethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, 5,7-Dichloro-2(3H)-benzoxazolethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dichloro-2(3H)-benzoxazolethione 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 5,7-Dichloro-2(3H)-benzoxazolethione?
The CAS number of 5,7-Dichloro-2(3H)-benzoxazolethione is 98279-11-9.
What is the molecular formula of 5,7-Dichloro-2(3H)-benzoxazolethione?
The molecular formula of 5,7-Dichloro-2(3H)-benzoxazolethione is C7H3Cl2NOS.
What is the molecular weight of 5,7-Dichloro-2(3H)-benzoxazolethione?
The molecular weight of 5,7-Dichloro-2(3H)-benzoxazolethione is 218.93 g/mol.
Where can I buy 5,7-Dichloro-2(3H)-benzoxazolethione?
You can request a quote for 5,7-Dichloro-2(3H)-benzoxazolethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dichloro-2(3H)-benzoxazolethione?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dichloro-2(3H)-benzoxazolethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.