S-Methyl N-phenylcarbamothioate
TL;DR: S-Methyl N-phenylcarbamothioate (CAS 13509-38-1) is a chemical compound with molecular formula C8H9NOS and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl N-phenylcarbamothioate
Also Known As: S-Methyl thiocarbanilate, S-methyl N-phenylcarbamothioate, S-Methyl phenylcarbamothioate, S-Methyl phenylthiocarbamate, S-methyl anilinomethanethioate
| Molecular Formula | C8H9NOS |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.04048 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 13509-38-1 |
|---|---|
| SMILES | CSC(=O)NC1=CC=CC=C1 |
| InChIKey | PUIULWGWXRSXTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Methyl N-phenylcarbamothioate (CAS 13509-38-1), with molecular formula C8H9NOS and molecular weight 167.04 g/mol. IUPAC: S-methyl N-phenylcarbamothioate.
Chemical Property Profile of S-Methyl N-phenylcarbamothioate
Property Insights of S-Methyl N-phenylcarbamothioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl N-phenylcarbamothioate. With a topological polar surface area (TPSA) of 54.4 Ų, S-Methyl N-phenylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl N-phenylcarbamothioate has 1 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 N-phenylcarbamothioate?
The CAS number of S-Methyl N-phenylcarbamothioate is 13509-38-1.
What is the molecular formula of S-Methyl N-phenylcarbamothioate?
The molecular formula of S-Methyl N-phenylcarbamothioate is C8H9NOS.
What is the molecular weight of S-Methyl N-phenylcarbamothioate?
The molecular weight of S-Methyl N-phenylcarbamothioate is 167.04 g/mol.
Where can I buy S-Methyl N-phenylcarbamothioate?
You can request a quote for S-Methyl N-phenylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl N-phenylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl N-phenylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.