S-methyl diphenylethanethioate
TL;DR: S-methyl diphenylethanethioate (CAS 56772-87-3) is a chemical compound with molecular formula C15H14OS and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl 2,2-diphenylethanethioate
Also Known As: S-methyl diphenylethanethioate, S-methyl 2,2-diphenylethanethioate, Diphenylthioacetic acid S-methyl ester, 1-methylthio-2,2-diphenylethan-1-one, 1-(methylsulfanyl)-2,2-diphenylethan-1-one
| Molecular Formula | C15H14OS |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 3.7081 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.07654 |
| Heavy Atoms | 17 |
| Complexity | 439.2897 |
Chemical Identifiers
| CAS Number | 56772-87-3 |
|---|---|
| SMILES | CSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 |
Product Overview
S-methyl diphenylethanethioate (CAS 56772-87-3), with molecular formula C15H14OS and molecular weight 242.08 g/mol. IUPAC: S-methyl 2,2-diphenylethanethioate.
Chemical Property Profile of S-methyl diphenylethanethioate
Property Insights of S-methyl diphenylethanethioate
The XLogP value of 3.7081 indicates that S-methyl diphenylethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, S-methyl diphenylethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-methyl diphenylethanethioate has 0 hydrogen bond donor(s) and 2 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-methyl diphenylethanethioate?
The CAS number of S-methyl diphenylethanethioate is 56772-87-3.
What is the molecular formula of S-methyl diphenylethanethioate?
The molecular formula of S-methyl diphenylethanethioate is C15H14OS.
What is the molecular weight of S-methyl diphenylethanethioate?
The molecular weight of S-methyl diphenylethanethioate is 242.08 g/mol.
Where can I buy S-methyl diphenylethanethioate?
You can request a quote for S-methyl diphenylethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl diphenylethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl diphenylethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.