Methyl phenylaminothioformate
TL;DR: Methyl phenylaminothioformate (CAS 68452-38-0) 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.
O-methyl N-phenylcarbamothioate
Also Known As: Methyl phenylaminothioformate, o-methyl phenylcarbamothioate, O-methyl-N-nitroisourea, methyl phenylthiocarbamate, Maybridge3_000527
| Molecular Formula | C8H9NOS |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 53.4 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 | 68452-38-0 |
|---|---|
| SMILES | COC(=S)NC1=CC=CC=C1 |
| InChIKey | SATWOAAHBTZXQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl phenylaminothioformate (CAS 68452-38-0), with molecular formula C8H9NOS and molecular weight 167.04 g/mol. IUPAC: O-methyl N-phenylcarbamothioate.
Chemical Property Profile of Methyl phenylaminothioformate
Property Insights of Methyl phenylaminothioformate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenylaminothioformate. With a topological polar surface area (TPSA) of 53.4 Ų, Methyl phenylaminothioformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl phenylaminothioformate 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 Methyl phenylaminothioformate?
The CAS number of Methyl phenylaminothioformate is 68452-38-0.
What is the molecular formula of Methyl phenylaminothioformate?
The molecular formula of Methyl phenylaminothioformate is C8H9NOS.
What is the molecular weight of Methyl phenylaminothioformate?
The molecular weight of Methyl phenylaminothioformate is 167.04 g/mol.
Where can I buy Methyl phenylaminothioformate?
You can request a quote for Methyl phenylaminothioformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenylaminothioformate?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenylaminothioformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.