Benzoxazole, 5-chloro-2-methylthio-
TL;DR: Benzoxazole, 5-chloro-2-methylthio- (CAS 64037-25-8) is a chemical compound with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methylsulfanyl-1,3-benzoxazole
Also Known As: 5-chloro-2-(methylthio)-1,3-benzoxazole, 5-Chloro-2-methylthiobenzoxazole, 5-Chloro-2-(methylthio)benzo[d]oxazole, 5-chloro-2-(methylsulfanyl)-1,3-benzoxazole, 5-chloro-2-(methylthio)benzoxazole
| Molecular Formula | C8H6ClNOS |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.98586 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 64037-25-8 |
|---|---|
| SMILES | CSC1=NC2=C(O1)C=CC(=C2)Cl |
| InChIKey | DDQGNGANBLTNFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoxazole, 5-chloro-2-methylthio- (CAS 64037-25-8), with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol. IUPAC: 5-chloro-2-methylsulfanyl-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 5-chloro-2-methylthio-
Property Insights of Benzoxazole, 5-chloro-2-methylthio-
The XLogP value of 3.7 indicates that Benzoxazole, 5-chloro-2-methylthio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Benzoxazole, 5-chloro-2-methylthio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 5-chloro-2-methylthio- has 0 hydrogen bond donor(s) and 3 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 Benzoxazole, 5-chloro-2-methylthio-?
The CAS number of Benzoxazole, 5-chloro-2-methylthio- is 64037-25-8.
What is the molecular formula of Benzoxazole, 5-chloro-2-methylthio-?
The molecular formula of Benzoxazole, 5-chloro-2-methylthio- is C8H6ClNOS.
What is the molecular weight of Benzoxazole, 5-chloro-2-methylthio-?
The molecular weight of Benzoxazole, 5-chloro-2-methylthio- is 198.99 g/mol.
Where can I buy Benzoxazole, 5-chloro-2-methylthio-?
You can request a quote for Benzoxazole, 5-chloro-2-methylthio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 5-chloro-2-methylthio-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 5-chloro-2-methylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.