s-Phenyl trichloroethanethioate
TL;DR: s-Phenyl trichloroethanethioate (CAS 24291-69-8) is a chemical compound with molecular formula C8H5Cl3OS and molecular weight 253.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 2,2,2-trichloroethanethioate
Also Known As: s-phenyl trichloroethanethioate, S-phenyl 2,2,2-trichloroethanethioate, trichlorothioacetic acid s-phenyl ester, J1.898.420B, 2,2,2-trichloro-1-(phenylsulfanyl)ethan-1-one
| Molecular Formula | C8H5Cl3OS |
|---|---|
| Molecular Weight | 253.91 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.91267 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 24291-69-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)C(Cl)(Cl)Cl |
| InChIKey | CTEFIWNEJLGAAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Phenyl trichloroethanethioate (CAS 24291-69-8), with molecular formula C8H5Cl3OS and molecular weight 253.91 g/mol. IUPAC: S-phenyl 2,2,2-trichloroethanethioate.
Chemical Property Profile of s-Phenyl trichloroethanethioate
Property Insights of s-Phenyl trichloroethanethioate
The XLogP value of 4.1 indicates that s-Phenyl trichloroethanethioate 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-Phenyl trichloroethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Phenyl trichloroethanethioate 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-Phenyl trichloroethanethioate?
The CAS number of s-Phenyl trichloroethanethioate is 24291-69-8.
What is the molecular formula of s-Phenyl trichloroethanethioate?
The molecular formula of s-Phenyl trichloroethanethioate is C8H5Cl3OS.
What is the molecular weight of s-Phenyl trichloroethanethioate?
The molecular weight of s-Phenyl trichloroethanethioate is 253.91 g/mol.
Where can I buy s-Phenyl trichloroethanethioate?
You can request a quote for s-Phenyl trichloroethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Phenyl trichloroethanethioate?
Yes, KEHONG BIO provides custom synthesis services for s-Phenyl trichloroethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.