S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate
TL;DR: S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate (CAS 18585-03-0) is a chemical compound with molecular formula C11H12F3NOS and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl N-[3-(trifluoromethyl)phenyl]carbamothioate
Also Known As: S-PROPYL N-(3-(TRIFLUOROMETHYL)PHENYL)THIOLCARBAMATE, N-[3-(trifluoromethyl)phenyl](propylsulfanyl)formamide, S-propyl N-[3-(trifluoromethyl)phenyl]carbamothioate, 1-propylsulfanyl-N-[3-(trifluoromethyl)phenyl]formamide, 666-429-6
| Molecular Formula | C11H12F3NOS |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 4.3805 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.05917 |
| Heavy Atoms | 17 |
| Complexity | 392.5481 |
Chemical Identifiers
| CAS Number | 18585-03-0 |
|---|---|
| SMILES | CCCSC(=O)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate (CAS 18585-03-0), with molecular formula C11H12F3NOS and molecular weight 263.06 g/mol. IUPAC: S-propyl N-[3-(trifluoromethyl)phenyl]carbamothioate.
Chemical Property Profile of S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate
Property Insights of S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate
The XLogP value of 4.3805 indicates that S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate 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-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate?
The CAS number of S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate is 18585-03-0.
What is the molecular formula of S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate?
The molecular formula of S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate is C11H12F3NOS.
What is the molecular weight of S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate?
The molecular weight of S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate is 263.06 g/mol.
Where can I buy S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate?
You can request a quote for S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-Propyl N-(3-(trifluoromethyl)phenyl)thiolcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.