(4-Chloro-2-trifluoromethyl-phenyl)-thiourea
TL;DR: (4-Chloro-2-trifluoromethyl-phenyl)-thiourea (CAS 648415-77-4) is a chemical compound with molecular formula C8H6ClF3N2S and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-2-(trifluoromethyl)phenyl]thiourea
Also Known As: (4-Chloro-2-trifluoromethyl-phenyl)-thiourea, [4-chloro-2-(trifluoromethyl)phenyl]thiourea, 1-(4-Chloro-2-(trifluoromethyl)phenyl)thiourea, Z-8267, N-[4-Chloro-2-(trifluoromethyl)phenyl]thiourea
| Molecular Formula | C8H6ClF3N2S |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 3.0143 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.98923 |
| Heavy Atoms | 15 |
| Complexity | 391.96344 |
Chemical Identifiers
| CAS Number | 648415-77-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)NC(=S)N |
Product Overview
(4-Chloro-2-trifluoromethyl-phenyl)-thiourea (CAS 648415-77-4), with molecular formula C8H6ClF3N2S and molecular weight 253.99 g/mol. IUPAC: [4-chloro-2-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of (4-Chloro-2-trifluoromethyl-phenyl)-thiourea
Property Insights of (4-Chloro-2-trifluoromethyl-phenyl)-thiourea
The XLogP value of 3.0143 indicates that (4-Chloro-2-trifluoromethyl-phenyl)-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.05 Ų, (4-Chloro-2-trifluoromethyl-phenyl)-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chloro-2-trifluoromethyl-phenyl)-thiourea 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 (4-Chloro-2-trifluoromethyl-phenyl)-thiourea?
The CAS number of (4-Chloro-2-trifluoromethyl-phenyl)-thiourea is 648415-77-4.
What is the molecular formula of (4-Chloro-2-trifluoromethyl-phenyl)-thiourea?
The molecular formula of (4-Chloro-2-trifluoromethyl-phenyl)-thiourea is C8H6ClF3N2S.
What is the molecular weight of (4-Chloro-2-trifluoromethyl-phenyl)-thiourea?
The molecular weight of (4-Chloro-2-trifluoromethyl-phenyl)-thiourea is 253.99 g/mol.
Where can I buy (4-Chloro-2-trifluoromethyl-phenyl)-thiourea?
You can request a quote for (4-Chloro-2-trifluoromethyl-phenyl)-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chloro-2-trifluoromethyl-phenyl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-2-trifluoromethyl-phenyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.