![1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea structure](/static/products/1357/13571-44-3.webp)
1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
TL;DR: 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea (CAS 13571-44-3) is a chemical compound with molecular formula C16H12F6N2S and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
Also Known As: 1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea, J3.604.537J, N-[3,5-Bis(trifluoromethyl)phenyl]-N'-(phenylmethyl)thiourea, 1-[3,5-Di(trifluoromethyl)phenyl]-3-benzylthiourea, 1-[3,5-Bis(trifluoromethyl)phenyl]-3-benzylthiourea
| Molecular Formula | C16H12F6N2S |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 5.2108 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.06253 |
| Heavy Atoms | 25 |
| Complexity | 708.2755 |
Chemical Identifiers
| CAS Number | 13571-44-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea (CAS 13571-44-3), with molecular formula C16H12F6N2S and molecular weight 378.06 g/mol. IUPAC: 1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
Property Insights of 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
The XLogP value of 5.2108 indicates that 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea 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-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea is 13571-44-3.
What is the molecular formula of 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea is C16H12F6N2S.
What is the molecular weight of 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea is 378.06 g/mol.
Where can I buy 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-Benzyl-3-[3,5-bis(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-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.