Methyl p-toluenesulfonate
TL;DR: Methyl p-toluenesulfonate (CAS 80-48-8) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-methylbenzenesulfonate
Also Known As: Methyl p-toluenesulfonate, Methyl 4-methylbenzenesulfonate, Methyl tosylate, Methyl p-tosylate, Methyl toluenesulfonate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O3S |
| Molecular Weight | 186.03506 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.03506 Da |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
| Melting Point | 28-29 °C |
| Boiling Point | 292 °C @ 760 MM HG |
| Density | 1.230 @ 25 DEG/25 °C |
| Flash Point | 306 °F (152 °C) (open cup) |
| Solubility | INSOL IN WATER; SLIGHTLY SOL IN PETROLEUM ETHER; SOL IN ETHER; VERY SOL IN ALCOHOL, BENZENE, CHLOROFORM |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC |
| InChIKey | VUQUOGPMUUJORT-UHFFFAOYSA-N |
Product Description
Applications: Methyl p-toluenesulfonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Methyl p-toluenesulfonate is a heterocyclic building block identified by CAS number 80-48-8 and the molecular formula C8H10O3S and a molecular weight of 186.04 g/mol. Physically, the compound has a density of 1.230 @ 25 DEG/25 °C g/cm³, a solubility: INSOL IN WATER; SLIGHTLY SOL IN PETROLEUM ETHER; SOL IN ETHER; VERY SOL IN ALCOHOL, BENZENE, CHLOROFORM. Synonyms include Methyl p-toluenesulfonate and Methyl 4-methylbenzenesulfonate.
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 Methyl p-toluenesulfonate
Property Insights of Methyl p-toluenesulfonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl p-toluenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Methyl p-toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl p-toluenesulfonate 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
What is the CAS number of Methyl p-toluenesulfonate?
The CAS number of Methyl p-toluenesulfonate is 80-48-8.
What is the molecular formula of Methyl p-toluenesulfonate?
The molecular formula of Methyl p-toluenesulfonate is C8H10O3S.
What is the molecular weight of Methyl p-toluenesulfonate?
The molecular weight of Methyl p-toluenesulfonate is 186.03506 g/mol.
What are the applications of Methyl p-toluenesulfonate?
Methyl p-toluenesulfonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Methyl p-toluenesulfonate?
You can request a quote for Methyl p-toluenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl p-toluenesulfonate?
Yes, CoreyChem provides custom synthesis services for Methyl p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.