5-(Chloromethyl)thiazole
TL;DR: 5-(Chloromethyl)thiazole (CAS 45438-77-5) is a chemical compound with molecular formula C4H4ClNS and molecular weight 132.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-1,3-thiazole
Also Known As: 5-(chloromethyl)thiazole, 5-(chloromethyl)-1,3-thiazole, 5-CHLOROMETHYLTHIAZOLE, 5-Chloromethyl-thiazole, 5-thiazolemethyl chloride
| Molecular Formula | C4H4ClNS |
|---|---|
| Molecular Weight | 132.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.9753 |
| Heavy Atoms | 7 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 45438-77-5 |
|---|---|
| SMILES | C1=C(SC=N1)CCl |
| InChIKey | UZAOOCPKYMGRHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Chloromethyl)thiazole (CAS 45438-77-5), with molecular formula C4H4ClNS and molecular weight 132.98 g/mol. IUPAC: 5-(chloromethyl)-1,3-thiazole.
Chemical Property Profile of 5-(Chloromethyl)thiazole
Property Insights of 5-(Chloromethyl)thiazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)thiazole. With a topological polar surface area (TPSA) of 41.1 Ų, 5-(Chloromethyl)thiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)thiazole has 0 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-(Chloromethyl)thiazole?
The CAS number of 5-(Chloromethyl)thiazole is 45438-77-5.
What is the molecular formula of 5-(Chloromethyl)thiazole?
The molecular formula of 5-(Chloromethyl)thiazole is C4H4ClNS.
What is the molecular weight of 5-(Chloromethyl)thiazole?
The molecular weight of 5-(Chloromethyl)thiazole is 132.98 g/mol.
Where can I buy 5-(Chloromethyl)thiazole?
You can request a quote for 5-(Chloromethyl)thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Chloromethyl)thiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.