5-(3-Trifluoromethylbenzyl)-2-thiouracil
TL;DR: 5-(3-Trifluoromethylbenzyl)-2-thiouracil (CAS 70311-34-1) is a chemical compound with molecular formula C12H9F3N2OS and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-4-one
Also Known As: 5-(3-trifluoromethylbenzyl)-2-thiouracil, 5-[3-(Trifluoromethyl)benzyl]-2-thiouracil, 2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-4-one, 2,3-Dihydro-2-thioxo-5-[[3-(trifluoromethyl)phenyl]methyl]-4(1H)-pyrimidinone, 2-sulfanylidene-5-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrimidin-4-one
| Molecular Formula | C12H9F3N2OS |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.04209 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.03876 |
| Heavy Atoms | 19 |
| Complexity | 702.8512 |
Chemical Identifiers
| CAS Number | 70311-34-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CC2=CNC(=S)NC2=O |
Product Overview
5-(3-Trifluoromethylbenzyl)-2-thiouracil (CAS 70311-34-1), with molecular formula C12H9F3N2OS and molecular weight 286.04 g/mol. IUPAC: 2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(3-Trifluoromethylbenzyl)-2-thiouracil
Property Insights of 5-(3-Trifluoromethylbenzyl)-2-thiouracil
The XLogP value of 3.04209 indicates that 5-(3-Trifluoromethylbenzyl)-2-thiouracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.65 Ų, 5-(3-Trifluoromethylbenzyl)-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Trifluoromethylbenzyl)-2-thiouracil has 2 hydrogen bond donor(s) and 2 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 5-(3-Trifluoromethylbenzyl)-2-thiouracil?
The CAS number of 5-(3-Trifluoromethylbenzyl)-2-thiouracil is 70311-34-1.
What is the molecular formula of 5-(3-Trifluoromethylbenzyl)-2-thiouracil?
The molecular formula of 5-(3-Trifluoromethylbenzyl)-2-thiouracil is C12H9F3N2OS.
What is the molecular weight of 5-(3-Trifluoromethylbenzyl)-2-thiouracil?
The molecular weight of 5-(3-Trifluoromethylbenzyl)-2-thiouracil is 286.04 g/mol.
Where can I buy 5-(3-Trifluoromethylbenzyl)-2-thiouracil?
You can request a quote for 5-(3-Trifluoromethylbenzyl)-2-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Trifluoromethylbenzyl)-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Trifluoromethylbenzyl)-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.