S-(4-methylphenyl) (4-bromophenoxy)ethanethioate
TL;DR: S-(4-methylphenyl) (4-bromophenoxy)ethanethioate (CAS 433253-82-8) is a chemical compound with molecular formula C15H13BrO2S and molecular weight 335.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylphenyl) 2-(4-bromophenoxy)ethanethioate
Also Known As: S-p-tolyl 2-(4-bromophenoxy)ethanethioate, S-(4-methylphenyl) (4-bromophenoxy)ethanethioate, S-(4-methylphenyl) 2-(4-bromophenoxy)ethanethioate, 2-(4-bromophenoxy)-1-(4-methylphenylthio)ethan-1-one
| Molecular Formula | C15H13BrO2S |
|---|---|
| Molecular Weight | 335.98 g/mol |
| LogP | 4.45522 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.98196 |
| Heavy Atoms | 19 |
| Complexity | 549.36316 |
Chemical Identifiers
| CAS Number | 433253-82-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)COC2=CC=C(C=C2)Br |
Product Overview
S-(4-methylphenyl) (4-bromophenoxy)ethanethioate (CAS 433253-82-8), with molecular formula C15H13BrO2S and molecular weight 335.98 g/mol. IUPAC: S-(4-methylphenyl) 2-(4-bromophenoxy)ethanethioate.
Chemical Property Profile of S-(4-methylphenyl) (4-bromophenoxy)ethanethioate
Property Insights of S-(4-methylphenyl) (4-bromophenoxy)ethanethioate
The XLogP value of 4.45522 indicates that S-(4-methylphenyl) (4-bromophenoxy)ethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, S-(4-methylphenyl) (4-bromophenoxy)ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-methylphenyl) (4-bromophenoxy)ethanethioate has 0 hydrogen bond donor(s) and 3 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-(4-methylphenyl) (4-bromophenoxy)ethanethioate?
The CAS number of S-(4-methylphenyl) (4-bromophenoxy)ethanethioate is 433253-82-8.
What is the molecular formula of S-(4-methylphenyl) (4-bromophenoxy)ethanethioate?
The molecular formula of S-(4-methylphenyl) (4-bromophenoxy)ethanethioate is C15H13BrO2S.
What is the molecular weight of S-(4-methylphenyl) (4-bromophenoxy)ethanethioate?
The molecular weight of S-(4-methylphenyl) (4-bromophenoxy)ethanethioate is 335.98 g/mol.
Where can I buy S-(4-methylphenyl) (4-bromophenoxy)ethanethioate?
You can request a quote for S-(4-methylphenyl) (4-bromophenoxy)ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-methylphenyl) (4-bromophenoxy)ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-methylphenyl) (4-bromophenoxy)ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.