![1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea structure](/static/products/3280/328038-79-5.webp)
1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea
TL;DR: 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 328038-79-5) is a chemical compound with molecular formula C12H15F3N2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: 1-tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea, 3-tert-butyl-1-[3-(trifluoromethyl)phenyl]thiourea, N-tert-Butyl-N'-[3-(trifluoromethyl)phenyl]thiourea, n-(tert-butyl)-n'-(3-(trifluoromethyl)phenyl)thiourea
| Molecular Formula | C12H15F3N2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 3.7903 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.0908 |
| Heavy Atoms | 18 |
| Complexity | 435.68405 |
Chemical Identifiers
| CAS Number | 328038-79-5 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 328038-79-5), with molecular formula C12H15F3N2S and molecular weight 276.09 g/mol. IUPAC: 1-tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea
Property Insights of 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea
The XLogP value of 3.7903 indicates that 1-Tert-butyl-3-[3-(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-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-[3-(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-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea is 328038-79-5.
What is the molecular formula of 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea is C12H15F3N2S.
What is the molecular weight of 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea is 276.09 g/mol.
Where can I buy 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-Tert-butyl-3-[3-(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-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-[3-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.