S-(4-methylphenyl) 4-methoxybenzenecarbothioate
TL;DR: S-(4-methylphenyl) 4-methoxybenzenecarbothioate (CAS 53271-44-6) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylphenyl) 4-methoxybenzenecarbothioate
Also Known As: S-p-tolyl 4-methoxybenzothioate, 4-methoxyphenyl 4-methylphenylthio ketone, 4-Methoxy-thiobenzoic acid S-p-tolyl ester, S-(4-methylphenyl) 4-methoxybenzenecarbothioate, AB01331253-02
| Molecular Formula | C15H14O2S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.93612 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.07144 |
| Heavy Atoms | 18 |
| Complexity | 529.425 |
Chemical Identifiers
| CAS Number | 53271-44-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)OC |
Product Overview
S-(4-methylphenyl) 4-methoxybenzenecarbothioate (CAS 53271-44-6), with molecular formula C15H14O2S and molecular weight 258.07 g/mol. IUPAC: S-(4-methylphenyl) 4-methoxybenzenecarbothioate.
Chemical Property Profile of S-(4-methylphenyl) 4-methoxybenzenecarbothioate
Property Insights of S-(4-methylphenyl) 4-methoxybenzenecarbothioate
The XLogP value of 3.93612 indicates that S-(4-methylphenyl) 4-methoxybenzenecarbothioate 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-methoxybenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-methylphenyl) 4-methoxybenzenecarbothioate 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-methoxybenzenecarbothioate?
The CAS number of S-(4-methylphenyl) 4-methoxybenzenecarbothioate is 53271-44-6.
What is the molecular formula of S-(4-methylphenyl) 4-methoxybenzenecarbothioate?
The molecular formula of S-(4-methylphenyl) 4-methoxybenzenecarbothioate is C15H14O2S.
What is the molecular weight of S-(4-methylphenyl) 4-methoxybenzenecarbothioate?
The molecular weight of S-(4-methylphenyl) 4-methoxybenzenecarbothioate is 258.07 g/mol.
Where can I buy S-(4-methylphenyl) 4-methoxybenzenecarbothioate?
You can request a quote for S-(4-methylphenyl) 4-methoxybenzenecarbothioate 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-methoxybenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-methylphenyl) 4-methoxybenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.