Chlorothymol
TL;DR: Chlorothymol (CAS 89-68-9) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.06549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-5-methyl-2-propan-2-ylphenol
Also Known As: Chlorothymol, 6-Chlorothymol, 4-Chloro-2-isopropyl-5-methylphenol, 4-Chlorothymol, Chlorthymol
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.06549 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06549 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)O |
| InChIKey | KFZXVMNBUMVKLN-UHFFFAOYSA-N |
Product Description
Applications: Chlorothymol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chlorothymol (CAS 89-68-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Chlorothymol is a pharmaceutical intermediate identified by CAS number 89-68-9 and the molecular formula C10H13ClO and a molecular weight of 184.07 g/mol. It is also known as Chlorothymol and 6-Chlorothymol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Chlorothymol
Property Insights of Chlorothymol
The XLogP value of 3.9 indicates that Chlorothymol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Chlorothymol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorothymol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chlorothymol?
The CAS number of Chlorothymol is 89-68-9.
What is the molecular formula of Chlorothymol?
The molecular formula of Chlorothymol is C10H13ClO.
What is the molecular weight of Chlorothymol?
The molecular weight of Chlorothymol is 184.06549 g/mol.
What are the applications of Chlorothymol?
Chlorothymol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chlorothymol (CAS 89-68-9) with custom...
Where can I buy Chlorothymol?
You can request a quote for Chlorothymol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorothymol?
Yes, CoreyChem provides custom synthesis services for Chlorothymol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.