![1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea structure](/static/products/1752/175277-17-5.webp)
1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea
TL;DR: 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea (CAS 175277-17-5) is a chemical compound with molecular formula C9H6F6N2S and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(trifluoromethyl)phenyl]thiourea
Also Known As: 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea, [3,5-bis(trifluoromethyl)phenyl]thiourea, 1-(3,5-bis(trifluoromethyl)phenyl)thiourea, Maybridge1_008805, 3,5-bis(trifluoromethyl)phenylthiourea
| Molecular Formula | C9H6F6N2S |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 3.3797 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.0156 |
| Heavy Atoms | 18 |
| Complexity | 432.85617 |
Chemical Identifiers
| CAS Number | 175277-17-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=S)N)C(F)(F)F |
Product Overview
1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea (CAS 175277-17-5), with molecular formula C9H6F6N2S and molecular weight 288.02 g/mol. IUPAC: [3,5-bis(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea
Property Insights of 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea
The XLogP value of 3.3797 indicates that 1-[3,5-Bis(trifluoromethyl)phenyl]-2-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-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3,5-Bis(trifluoromethyl)phenyl]-2-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-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea?
The CAS number of 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea is 175277-17-5.
What is the molecular formula of 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea?
The molecular formula of 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea is C9H6F6N2S.
What is the molecular weight of 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea?
The molecular weight of 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea is 288.02 g/mol.
Where can I buy 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea?
You can request a quote for 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.