S-Chloroacetyl-p-mercaptotoluene
TL;DR: S-Chloroacetyl-p-mercaptotoluene (CAS 24197-66-8) is a chemical compound with molecular formula C9H9ClOS and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylphenyl) 2-chloroethanethioate
Also Known As: S-Chloroacetyl-p-mercaptotoluene, S-(4-methylphenyl) 2-chloroethanethioate, Chlorthiolessigsaeure-p-tolylester, S-(4-Methylphenyl) chloroethanethioate, J1.478.151J
| Molecular Formula | C9H9ClOS |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.00627 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 24197-66-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)CCl |
| InChIKey | PZCWLOADIZFERQ-UHFFFAOYSA-N |
Product Overview
S-Chloroacetyl-p-mercaptotoluene (CAS 24197-66-8), with molecular formula C9H9ClOS and molecular weight 200.01 g/mol. IUPAC: S-(4-methylphenyl) 2-chloroethanethioate.
Chemical Property Profile of S-Chloroacetyl-p-mercaptotoluene
Property Insights of S-Chloroacetyl-p-mercaptotoluene
The XLogP value of 3.2 indicates that S-Chloroacetyl-p-mercaptotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-Chloroacetyl-p-mercaptotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Chloroacetyl-p-mercaptotoluene 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 S-Chloroacetyl-p-mercaptotoluene?
The CAS number of S-Chloroacetyl-p-mercaptotoluene is 24197-66-8.
What is the molecular formula of S-Chloroacetyl-p-mercaptotoluene?
The molecular formula of S-Chloroacetyl-p-mercaptotoluene is C9H9ClOS.
What is the molecular weight of S-Chloroacetyl-p-mercaptotoluene?
The molecular weight of S-Chloroacetyl-p-mercaptotoluene is 200.01 g/mol.
Where can I buy S-Chloroacetyl-p-mercaptotoluene?
You can request a quote for S-Chloroacetyl-p-mercaptotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Chloroacetyl-p-mercaptotoluene?
Yes, KEHONG BIO provides custom synthesis services for S-Chloroacetyl-p-mercaptotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.