S-(4-methoxyphenyl) benzenecarbothioate
TL;DR: S-(4-methoxyphenyl) benzenecarbothioate (CAS 24197-73-7) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methoxyphenyl) benzenecarbothioate
Also Known As: S-4-Methoxyphenyl benzothioate, S-(4-methoxyphenyl) benzothioate, 4-Methoxy-1-(benzoylthio)benzene, S-(4-methoxyphenyl) benzenecarbothioate, Thiobenzoic acid S-(4-methoxyphenyl) ester
| Molecular Formula | C14H12O2S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0558 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 24197-73-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC(=O)C2=CC=CC=C2 |
| InChIKey | TXWJODCQLJTZHC-UHFFFAOYSA-N |
Product Overview
S-(4-methoxyphenyl) benzenecarbothioate (CAS 24197-73-7), with molecular formula C14H12O2S and molecular weight 244.06 g/mol. IUPAC: S-(4-methoxyphenyl) benzenecarbothioate.
Chemical Property Profile of S-(4-methoxyphenyl) benzenecarbothioate
Property Insights of S-(4-methoxyphenyl) benzenecarbothioate
The XLogP value of 3.8 indicates that S-(4-methoxyphenyl) benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, S-(4-methoxyphenyl) benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-methoxyphenyl) benzenecarbothioate 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-methoxyphenyl) benzenecarbothioate?
The CAS number of S-(4-methoxyphenyl) benzenecarbothioate is 24197-73-7.
What is the molecular formula of S-(4-methoxyphenyl) benzenecarbothioate?
The molecular formula of S-(4-methoxyphenyl) benzenecarbothioate is C14H12O2S.
What is the molecular weight of S-(4-methoxyphenyl) benzenecarbothioate?
The molecular weight of S-(4-methoxyphenyl) benzenecarbothioate is 244.06 g/mol.
Where can I buy S-(4-methoxyphenyl) benzenecarbothioate?
You can request a quote for S-(4-methoxyphenyl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-methoxyphenyl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-methoxyphenyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.