对甲基苯基磺酰氯
TL;DR: 对甲基苯基磺酰氯 (CAS 98-59-9) 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.
对甲基苯基磺酰氯
4-methylbenzenesulfonyl chloride
Also Known As: Tosyl chloride, P-TOLUENESULFONYL CHLORIDE, p-Tosyl chloride, 4-Methylbenzenesulfonyl chloride, tosylchloride
| Molecular Formula | C7H7ClO2S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 3.0 |
| 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 | 209.0 |
| Melting Point | 69-71 °C |
| Boiling Point | 146 °C @ 15 MM HG |
| Density | 1.3 g/cm³ |
| Solubility | INSOL IN WATER; FREELY SOL IN ALCOHOL, BENZENE, ETHER |
| Flash Point | 128 °C c.c. |
| Vapor Pressure | Vapor pressure, Pa at 25 °C: 0.16 |
Chemical Identifiers
| CAS Number | 98-59-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)Cl |
| InChIKey | YYROPELSRYBVMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲基苯基磺酰氯 (CAS 98-59-9), with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol. IUPAC: 4-methylbenzenesulfonyl chloride.
Chemical Property Profile of 对甲基苯基磺酰氯
Property Insights of 对甲基苯基磺酰氯
The XLogP value of 3.0 indicates that 对甲基苯基磺酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 对甲基苯基磺酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲基苯基磺酰氯 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 对甲基苯基磺酰氯?
The CAS number of 对甲基苯基磺酰氯 is 98-59-9.
What is the molecular formula of 对甲基苯基磺酰氯?
The molecular formula of 对甲基苯基磺酰氯 is C7H7ClO2S.
What is the molecular weight of 对甲基苯基磺酰氯?
The molecular weight of 对甲基苯基磺酰氯 is 189.99 g/mol.
Where can I buy 对甲基苯基磺酰氯?
You can request a quote for 对甲基苯基磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲基苯基磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 对甲基苯基磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.