2,4-Dichloro-5-methylthiophenol
TL;DR: 2,4-Dichloro-5-methylthiophenol (CAS 28225-88-9) is a chemical compound with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-5-methylbenzenethiol
Also Known As: 2,4-Dichloro-5-methylthiophenol, 2,4-dichloro-5-methylbenzenethiol, Benzenethiol, 2,4-dichloro-5-methyl-, 2,4-DICHLORO-5-METHYLBENZENE-1-THIOL, Benzenethiol,2,4-dichloro-5-methyl-
| Molecular Formula | C7H6Cl2S |
|---|---|
| Molecular Weight | 191.96 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.95673 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 28225-88-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)Cl)S |
| InChIKey | SHBIPXMJAAVLGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichloro-5-methylthiophenol (CAS 28225-88-9), with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol. IUPAC: 2,4-dichloro-5-methylbenzenethiol.
Chemical Property Profile of 2,4-Dichloro-5-methylthiophenol
Property Insights of 2,4-Dichloro-5-methylthiophenol
The XLogP value of 3.7 indicates that 2,4-Dichloro-5-methylthiophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2,4-Dichloro-5-methylthiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-5-methylthiophenol 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 2,4-Dichloro-5-methylthiophenol?
The CAS number of 2,4-Dichloro-5-methylthiophenol is 28225-88-9.
What is the molecular formula of 2,4-Dichloro-5-methylthiophenol?
The molecular formula of 2,4-Dichloro-5-methylthiophenol is C7H6Cl2S.
What is the molecular weight of 2,4-Dichloro-5-methylthiophenol?
The molecular weight of 2,4-Dichloro-5-methylthiophenol is 191.96 g/mol.
Where can I buy 2,4-Dichloro-5-methylthiophenol?
You can request a quote for 2,4-Dichloro-5-methylthiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-5-methylthiophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-5-methylthiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.