S-phenyl 4-methoxybenzothioate
TL;DR: S-phenyl 4-methoxybenzothioate (CAS 21122-37-2) 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-phenyl 4-methoxybenzenecarbothioate
Also Known As: S-phenyl 4-methoxybenzothioate, Maybridge3_005473, S-Phenyl 4-methoxybenzenecarbothioate, IDI1_016860, S-Phenyl 4-methoxybenzenecarbothioate #
| 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 | 21122-37-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)SC2=CC=CC=C2 |
| InChIKey | HLPIUBYKAZDTHR-UHFFFAOYSA-N |
Product Overview
S-phenyl 4-methoxybenzothioate (CAS 21122-37-2), with molecular formula C14H12O2S and molecular weight 244.06 g/mol. IUPAC: S-phenyl 4-methoxybenzenecarbothioate.
Chemical Property Profile of S-phenyl 4-methoxybenzothioate
Property Insights of S-phenyl 4-methoxybenzothioate
The XLogP value of 3.8 indicates that S-phenyl 4-methoxybenzothioate 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-phenyl 4-methoxybenzothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl 4-methoxybenzothioate 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-phenyl 4-methoxybenzothioate?
The CAS number of S-phenyl 4-methoxybenzothioate is 21122-37-2.
What is the molecular formula of S-phenyl 4-methoxybenzothioate?
The molecular formula of S-phenyl 4-methoxybenzothioate is C14H12O2S.
What is the molecular weight of S-phenyl 4-methoxybenzothioate?
The molecular weight of S-phenyl 4-methoxybenzothioate is 244.06 g/mol.
Where can I buy S-phenyl 4-methoxybenzothioate?
You can request a quote for S-phenyl 4-methoxybenzothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl 4-methoxybenzothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl 4-methoxybenzothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.