1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea
TL;DR: 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea (CAS 21714-35-2) 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.
[2-chloro-5-(trifluoromethyl)phenyl]thiourea
Also Known As: 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea, [2-chloro-5-(trifluoromethyl)phenyl]thiourea, Maybridge1_008818, 1-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea, N-[2-Chloro-5-(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 | 21714-35-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC(=S)N)Cl |
Product Overview
1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea (CAS 21714-35-2), with molecular formula C8H6ClF3N2S and molecular weight 253.99 g/mol. IUPAC: [2-chloro-5-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea
Property Insights of 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea
The XLogP value of 3.0143 indicates that 1-(2-Chloro-5-(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, 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-5-(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 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea?
The CAS number of 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea is 21714-35-2.
What is the molecular formula of 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea?
The molecular formula of 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea is C8H6ClF3N2S.
What is the molecular weight of 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea?
The molecular weight of 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea is 253.99 g/mol.
Where can I buy 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea?
You can request a quote for 1-(2-Chloro-5-(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 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.