S-(4-chlorophenyl) 2-bromobenzenecarbothioate
TL;DR: S-(4-chlorophenyl) 2-bromobenzenecarbothioate (CAS 608491-87-8) is a chemical compound with molecular formula C13H8BrClOS and molecular weight 325.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) 2-bromobenzenecarbothioate
Also Known As: S-(4-chlorophenyl) 2-bromobenzenecarbothioate, 2-bromophenyl 4-chlorophenylthio ketone, (2-bromophenyl)-(4-chlorophenyl)sulfanyl-methanone
| Molecular Formula | C13H8BrClOS |
|---|---|
| Molecular Weight | 325.92 g/mol |
| LogP | 5.035 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.91678 |
| Heavy Atoms | 17 |
| Complexity | 539.37067 |
Chemical Identifiers
| CAS Number | 608491-87-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)SC2=CC=C(C=C2)Cl)Br |
Product Overview
S-(4-chlorophenyl) 2-bromobenzenecarbothioate (CAS 608491-87-8), with molecular formula C13H8BrClOS and molecular weight 325.92 g/mol. IUPAC: S-(4-chlorophenyl) 2-bromobenzenecarbothioate.
Chemical Property Profile of S-(4-chlorophenyl) 2-bromobenzenecarbothioate
Property Insights of S-(4-chlorophenyl) 2-bromobenzenecarbothioate
The XLogP value of 5.035 indicates that S-(4-chlorophenyl) 2-bromobenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, S-(4-chlorophenyl) 2-bromobenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-chlorophenyl) 2-bromobenzenecarbothioate 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) 2-bromobenzenecarbothioate?
The CAS number of S-(4-chlorophenyl) 2-bromobenzenecarbothioate is 608491-87-8.
What is the molecular formula of S-(4-chlorophenyl) 2-bromobenzenecarbothioate?
The molecular formula of S-(4-chlorophenyl) 2-bromobenzenecarbothioate is C13H8BrClOS.
What is the molecular weight of S-(4-chlorophenyl) 2-bromobenzenecarbothioate?
The molecular weight of S-(4-chlorophenyl) 2-bromobenzenecarbothioate is 325.92 g/mol.
Where can I buy S-(4-chlorophenyl) 2-bromobenzenecarbothioate?
You can request a quote for S-(4-chlorophenyl) 2-bromobenzenecarbothioate 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) 2-bromobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-chlorophenyl) 2-bromobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.