5-(4-Chlorophenyl)-1,3-oxazole-2-thiol
TL;DR: 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol (CAS 49658-26-6) is a chemical compound with molecular formula C9H6ClNOS and molecular weight 210.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-3H-1,3-oxazole-2-thione
Also Known As: 5-(4-chlorophenyl)-1,3-oxazole-2-thiol, Fenpropidin, 5-(4-chlorophenyl)oxazole-2-thiol, 5-(4-chlorophenyl)-3H-1,3-oxazole-2-thione, 4-(DIFLUOROMETHYL)ANILINE
| Molecular Formula | C9H6ClNOS |
|---|---|
| Molecular Weight | 210.99 g/mol |
| LogP | 3.65759 |
| Topological Polar Surface Area | 28.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.98586 |
| Heavy Atoms | 13 |
| Complexity | 456.96698 |
Chemical Identifiers
| CAS Number | 49658-26-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CNC(=S)O2)Cl |
Product Overview
5-(4-Chlorophenyl)-1,3-oxazole-2-thiol (CAS 49658-26-6), with molecular formula C9H6ClNOS and molecular weight 210.99 g/mol. IUPAC: 5-(4-chlorophenyl)-3H-1,3-oxazole-2-thione.
Chemical Property Profile of 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol
Property Insights of 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol
The XLogP value of 3.65759 indicates that 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.93 Ų, 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-1,3-oxazole-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 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol?
The CAS number of 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol is 49658-26-6.
What is the molecular formula of 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol?
The molecular formula of 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol is C9H6ClNOS.
What is the molecular weight of 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol?
The molecular weight of 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol is 210.99 g/mol.
Where can I buy 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol?
You can request a quote for 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-1,3-oxazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.