4-Chloro-2-methylthiophenol
TL;DR: 4-Chloro-2-methylthiophenol (CAS 17178-00-6) is a chemical compound with molecular formula C7H7ClS and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylbenzenethiol
Also Known As: 4-Chloro-2-methylthiophenol, 4-Chloro-2-methylbenzenethiol, 4-chloro-2-methylbenzene-1-thiol, 4-Chloro-o-toluenethiol, 4-chloro-2-methyl-benzenethiol
| Molecular Formula | C7H7ClS |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.9957 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 17178-00-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)S |
| InChIKey | YIUPEFSJLWXHJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-methylthiophenol (CAS 17178-00-6), with molecular formula C7H7ClS and molecular weight 158.00 g/mol. IUPAC: 4-chloro-2-methylbenzenethiol.
Chemical Property Profile of 4-Chloro-2-methylthiophenol
Property Insights of 4-Chloro-2-methylthiophenol
The XLogP value of 3.3 indicates that 4-Chloro-2-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, 4-Chloro-2-methylthiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-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 4-Chloro-2-methylthiophenol?
The CAS number of 4-Chloro-2-methylthiophenol is 17178-00-6.
What is the molecular formula of 4-Chloro-2-methylthiophenol?
The molecular formula of 4-Chloro-2-methylthiophenol is C7H7ClS.
What is the molecular weight of 4-Chloro-2-methylthiophenol?
The molecular weight of 4-Chloro-2-methylthiophenol is 158.00 g/mol.
Where can I buy 4-Chloro-2-methylthiophenol?
You can request a quote for 4-Chloro-2-methylthiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methylthiophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methylthiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.