5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole
TL;DR: 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole (CAS 74537-44-3) is a chemical compound with molecular formula C9H8ClNS2 and molecular weight 228.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-ethylsulfanyl-1,3-benzothiazole
Also Known As: 5-chloro-2-ethylthiobenzothiazole, 5-Chloro-2-(ethylthio)benzothiazole, Benzothiazole, 5-chloro-2-(ethylthio)-, 5-chloro-2-(ethylsulfanyl)-1,3-benzothiazole, 5-chloro-2-(ethylthio)-1,3-benzothiazole
| Molecular Formula | C9H8ClNS2 |
|---|---|
| Molecular Weight | 228.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.97867 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 74537-44-3 |
|---|---|
| SMILES | CCSC1=NC2=C(S1)C=CC(=C2)Cl |
| InChIKey | XXHCIKXHYHDYKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole (CAS 74537-44-3), with molecular formula C9H8ClNS2 and molecular weight 228.98 g/mol. IUPAC: 5-chloro-2-ethylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole
Property Insights of 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole
The XLogP value of 3.3 indicates that 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole 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 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole?
The CAS number of 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole is 74537-44-3.
What is the molecular formula of 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole?
The molecular formula of 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole is C9H8ClNS2.
What is the molecular weight of 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole?
The molecular weight of 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole is 228.98 g/mol.
Where can I buy 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole?
You can request a quote for 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(ethylsulfanyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.