S-(4-chlorophenyl) 2-methoxybenzenecarbothioate
TL;DR: S-(4-chlorophenyl) 2-methoxybenzenecarbothioate (CAS 431056-35-8) is a chemical compound with molecular formula C14H11ClO2S and molecular weight 278.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) 2-methoxybenzenecarbothioate
Also Known As: S-(4-chlorophenyl) 2-methoxybenzenecarbothioate, 4-chlorophenylthio 2-methoxyphenyl ketone, S-(4-chlorophenyl) 2-methoxybenzothioate, AB01331047-02
| Molecular Formula | C14H11ClO2S |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | 4.2811 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0168 |
| Heavy Atoms | 18 |
| Complexity | 551.9754 |
Chemical Identifiers
| CAS Number | 431056-35-8 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)SC2=CC=C(C=C2)Cl |
Product Overview
S-(4-chlorophenyl) 2-methoxybenzenecarbothioate (CAS 431056-35-8), with molecular formula C14H11ClO2S and molecular weight 278.02 g/mol. IUPAC: S-(4-chlorophenyl) 2-methoxybenzenecarbothioate.
Chemical Property Profile of S-(4-chlorophenyl) 2-methoxybenzenecarbothioate
Property Insights of S-(4-chlorophenyl) 2-methoxybenzenecarbothioate
The XLogP value of 4.2811 indicates that S-(4-chlorophenyl) 2-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-chlorophenyl) 2-methoxybenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-chlorophenyl) 2-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-chlorophenyl) 2-methoxybenzenecarbothioate?
The CAS number of S-(4-chlorophenyl) 2-methoxybenzenecarbothioate is 431056-35-8.
What is the molecular formula of S-(4-chlorophenyl) 2-methoxybenzenecarbothioate?
The molecular formula of S-(4-chlorophenyl) 2-methoxybenzenecarbothioate is C14H11ClO2S.
What is the molecular weight of S-(4-chlorophenyl) 2-methoxybenzenecarbothioate?
The molecular weight of S-(4-chlorophenyl) 2-methoxybenzenecarbothioate is 278.02 g/mol.
Where can I buy S-(4-chlorophenyl) 2-methoxybenzenecarbothioate?
You can request a quote for S-(4-chlorophenyl) 2-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-chlorophenyl) 2-methoxybenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-chlorophenyl) 2-methoxybenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.