S-Methyl O-phenyl carbonothioate
TL;DR: S-Methyl O-phenyl carbonothioate (CAS 13509-28-9) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl methylsulfanylformate
Also Known As: phenyl methylsulfanylformate, phenyl 2-thiapropanoate, S-methyl O-phenyl carbonothioate, S-Methyl o-phenyl thiocarbonate, (methylsulfanyl)(phenoxy)methanone
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 13509-28-9 |
|---|---|
| SMILES | CSC(=O)OC1=CC=CC=C1 |
| InChIKey | DLYZNVYLULHBQS-UHFFFAOYSA-N |
Product Overview
S-Methyl O-phenyl carbonothioate (CAS 13509-28-9), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: phenyl methylsulfanylformate.
Chemical Property Profile of S-Methyl O-phenyl carbonothioate
Property Insights of S-Methyl O-phenyl carbonothioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl O-phenyl carbonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, S-Methyl O-phenyl carbonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl O-phenyl carbonothioate 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-Methyl O-phenyl carbonothioate?
The CAS number of S-Methyl O-phenyl carbonothioate is 13509-28-9.
What is the molecular formula of S-Methyl O-phenyl carbonothioate?
The molecular formula of S-Methyl O-phenyl carbonothioate is C8H8O2S.
What is the molecular weight of S-Methyl O-phenyl carbonothioate?
The molecular weight of S-Methyl O-phenyl carbonothioate is 168.02 g/mol.
Where can I buy S-Methyl O-phenyl carbonothioate?
You can request a quote for S-Methyl O-phenyl carbonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl O-phenyl carbonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl O-phenyl carbonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.