对甲苯亚磺酸
TL;DR: 对甲苯亚磺酸 (CAS 536-57-2) is a chemical compound with molecular formula C7H8O2S and molecular weight 156.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲苯亚磺酸
4-methylbenzenesulfinic acid
Also Known As: 4-Methylbenzenesulfinic acid, P-TOLUENESULFINIC ACID, Benzenesulfinic acid, 4-methyl-, 4-Toluenesulfinic acid, Toluene-4-sulphinic acid
| Molecular Formula | C7H8O2S |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.0245 |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 536-57-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)O |
| InChIKey | FXJVNINSOKCNJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲苯亚磺酸 (CAS 536-57-2), with molecular formula C7H8O2S and molecular weight 156.02 g/mol. IUPAC: 4-methylbenzenesulfinic acid.
Chemical Property Profile of 对甲苯亚磺酸
Property Insights of 对甲苯亚磺酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对甲苯亚磺酸. With a topological polar surface area (TPSA) of 56.5 Ų, 对甲苯亚磺酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲苯亚磺酸 has 1 hydrogen bond donor(s) and 3 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 对甲苯亚磺酸?
The CAS number of 对甲苯亚磺酸 is 536-57-2.
What is the molecular formula of 对甲苯亚磺酸?
The molecular formula of 对甲苯亚磺酸 is C7H8O2S.
What is the molecular weight of 对甲苯亚磺酸?
The molecular weight of 对甲苯亚磺酸 is 156.02 g/mol.
Where can I buy 对甲苯亚磺酸?
You can request a quote for 对甲苯亚磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲苯亚磺酸?
Yes, KEHONG BIO provides custom synthesis services for 对甲苯亚磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.