o-Toluenesulfonyl chloride
TL;DR: o-Toluenesulfonyl chloride (CAS 133-59-5) is a chemical compound with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbenzenesulfonyl chloride
Also Known As: o-Toluenesulfonyl chloride, 2-Methylbenzenesulfonyl chloride, o-Tosyl chloride, null, Toluenesulfonyl chloride
| Molecular Formula | C7H7ClO2S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.98553 |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
| Melting Point | 10.2 °C |
| Boiling Point | 154 °C AT 36 MM HG |
| Density | 1.3383 AT 20 °C |
| Solubility | INSOL IN WATER |
| Refractive Index | SADTLER REF NUMBER: 10657 (IR, PRISM); 1.5565 AT 20 °C |
Chemical Identifiers
| CAS Number | 133-59-5 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)(=O)Cl |
| InChIKey | HDECRAPHCDXMIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Toluenesulfonyl chloride (CAS 133-59-5), with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol. IUPAC: 2-methylbenzenesulfonyl chloride.
Chemical Property Profile of o-Toluenesulfonyl chloride
Property Insights of o-Toluenesulfonyl chloride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Toluenesulfonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, o-Toluenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluenesulfonyl chloride 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 o-Toluenesulfonyl chloride?
The CAS number of o-Toluenesulfonyl chloride is 133-59-5.
What is the molecular formula of o-Toluenesulfonyl chloride?
The molecular formula of o-Toluenesulfonyl chloride is C7H7ClO2S.
What is the molecular weight of o-Toluenesulfonyl chloride?
The molecular weight of o-Toluenesulfonyl chloride is 189.99 g/mol.
Where can I buy o-Toluenesulfonyl chloride?
You can request a quote for o-Toluenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Toluenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for o-Toluenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.