4-氯-2,5-二甲基苯硫酚
TL;DR: 4-氯-2,5-二甲基苯硫酚 (CAS 59962-29-7) is a chemical compound with molecular formula C8H9ClS and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-2,5-二甲基苯硫酚
4-chloro-2,5-dimethylbenzenethiol
Also Known As: 4-Chloro-2,5-dimethylbenzenethiol, 4-CHLORO-2,5-DIMETHYLTHIOPHENOL, 4-Chlor-thio-p-xylenol, 4-chloro-2,5-dimethylbenzene-1-thiol, 4-chloro-2,5-dimethyl-benzenethiol
| Molecular Formula | C8H9ClS |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.01135 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 59962-29-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C)S |
| InChIKey | OJYSHGUXHULIBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-2,5-二甲基苯硫酚 (CAS 59962-29-7), with molecular formula C8H9ClS and molecular weight 172.01 g/mol. IUPAC: 4-chloro-2,5-dimethylbenzenethiol.
Chemical Property Profile of 4-氯-2,5-二甲基苯硫酚
Property Insights of 4-氯-2,5-二甲基苯硫酚
The XLogP value of 3.4 indicates that 4-氯-2,5-二甲基苯硫酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 4-氯-2,5-二甲基苯硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-2,5-二甲基苯硫酚 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
Frequently Asked Questions
What is the CAS number of 4-氯-2,5-二甲基苯硫酚?
The CAS number of 4-氯-2,5-二甲基苯硫酚 is 59962-29-7.
What is the molecular formula of 4-氯-2,5-二甲基苯硫酚?
The molecular formula of 4-氯-2,5-二甲基苯硫酚 is C8H9ClS.
What is the molecular weight of 4-氯-2,5-二甲基苯硫酚?
The molecular weight of 4-氯-2,5-二甲基苯硫酚 is 172.01 g/mol.
Where can I buy 4-氯-2,5-二甲基苯硫酚?
You can request a quote for 4-氯-2,5-二甲基苯硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-2,5-二甲基苯硫酚?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-2,5-二甲基苯硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.