![O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate structure](/static/products/6580/658039-45-3.webp)
O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate
TL;DR: O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate (CAS 658039-45-3) is a chemical compound with molecular formula C9H8F3NOS and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate
Also Known As: Maybridge3_000861, IDI1_012248, O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate, methyl [3-(trifluoromethyl)anilino]methanethioate, O-Methyl 3-(trifluoromethyl)phenylcarbamothioate
| Molecular Formula | C9H8F3NOS |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 3.0486 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.02786 |
| Heavy Atoms | 15 |
| Complexity | 364.62024 |
Chemical Identifiers
| CAS Number | 658039-45-3 |
|---|---|
| SMILES | COC(=S)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate (CAS 658039-45-3), with molecular formula C9H8F3NOS and molecular weight 235.03 g/mol. IUPAC: O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate.
Chemical Property Profile of O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate
Property Insights of O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate
The XLogP value of 3.0486 indicates that O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate 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 O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate?
The CAS number of O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate is 658039-45-3.
What is the molecular formula of O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate?
The molecular formula of O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate is C9H8F3NOS.
What is the molecular weight of O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate?
The molecular weight of O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate is 235.03 g/mol.
Where can I buy O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate?
You can request a quote for O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-methyl N-[3-(trifluoromethyl)phenyl]carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.