s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate
TL;DR: s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate (CAS 6973-65-5) is a chemical compound with molecular formula C13H8Cl2OS and molecular weight 281.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) 4-chlorobenzenecarbothioate
Also Known As: s-(4-chlorophenyl) 4-chlorobenzenecarbothioate, 4-Chlorothiobenzoic acid S-(4-chlorophenyl) ester, (4-chlorophenyl)[(4-chlorophenyl)sulfanyl]methanone, S-(4-Chlorophenyl) 4-chlorobenzene-1-carbothioate, 4-Chloro-thiobenzoic acid S-(4-chloro-phenyl) ester
| Molecular Formula | C13H8Cl2OS |
|---|---|
| Molecular Weight | 281.97 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.9673 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 6973-65-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)SC2=CC=C(C=C2)Cl)Cl |
| InChIKey | IJNGWHMLYIGCLI-UHFFFAOYSA-N |
Product Overview
s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate (CAS 6973-65-5), with molecular formula C13H8Cl2OS and molecular weight 281.97 g/mol. IUPAC: S-(4-chlorophenyl) 4-chlorobenzenecarbothioate.
Chemical Property Profile of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate
Property Insights of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate
The XLogP value of 5.1 indicates that s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate 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-(4-Chlorophenyl) 4-chlorobenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate?
The CAS number of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate is 6973-65-5.
What is the molecular formula of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate?
The molecular formula of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate is C13H8Cl2OS.
What is the molecular weight of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate?
The molecular weight of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate is 281.97 g/mol.
Where can I buy s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate?
You can request a quote for s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.