![1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea structure](/static/products/4440/444076-53-3.webp)
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea
TL;DR: 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea (CAS 444076-53-3) is a chemical compound with molecular formula C9H8ClF3N2S and molecular weight 268.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea
Also Known As: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea
| Molecular Formula | C9H8ClF3N2S |
|---|---|
| Molecular Weight | 268.00 g/mol |
| LogP | 3.275 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.00488 |
| Heavy Atoms | 16 |
| Complexity | 406.23083 |
Chemical Identifiers
| CAS Number | 444076-53-3 |
|---|---|
| SMILES | CNC(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F |
Product Overview
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea (CAS 444076-53-3), with molecular formula C9H8ClF3N2S and molecular weight 268.00 g/mol. IUPAC: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea.
Chemical Property Profile of 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea
Property Insights of 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea
The XLogP value of 3.275 indicates that 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea has 2 hydrogen bond donor(s) and 1 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 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea?
The CAS number of 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea is 444076-53-3.
What is the molecular formula of 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea?
The molecular formula of 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea is C9H8ClF3N2S.
What is the molecular weight of 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea?
The molecular weight of 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea is 268.00 g/mol.
Where can I buy 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea?
You can request a quote for 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.