5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione
TL;DR: 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione (CAS 1598-59-0) is a chemical compound with molecular formula C5H3ClF3N3S and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-chloro-2-(trifluoromethyl)-1H-pyrimidine-4-thione
Also Known As: 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione, 5-amino-6-chloro-2-(trifluoromethyl)-1H-pyrimidine-4-thione, 5-amino-6-chloro-2- -1H-pyrimidine-4-thione, 5-amino-6-chloro-2-trifluoromethyl-3H-pyrimidine-4-thione, 4(1H)-Pyrimidinethione,5-amino-6-chloro-2-(trifluoromethyl)-
| Molecular Formula | C5H3ClF3N3S |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 2.39359 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.96883 |
| Heavy Atoms | 13 |
| Complexity | 385.5915 |
Chemical Identifiers
| CAS Number | 1598-59-0 |
|---|---|
| SMILES | C1(=C(NC(=NC1=S)C(F)(F)F)Cl)N |
Product Overview
5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione (CAS 1598-59-0), with molecular formula C5H3ClF3N3S and molecular weight 228.97 g/mol. IUPAC: 5-amino-6-chloro-2-(trifluoromethyl)-1H-pyrimidine-4-thione.
Chemical Property Profile of 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione
Property Insights of 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione
The XLogP value of 2.39359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione. With a topological polar surface area (TPSA) of 54.7 Ų, 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione has 2 hydrogen bond donor(s) and 3 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-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione?
The CAS number of 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione is 1598-59-0.
What is the molecular formula of 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione?
The molecular formula of 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione is C5H3ClF3N3S.
What is the molecular weight of 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione?
The molecular weight of 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione is 228.97 g/mol.
Where can I buy 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione?
You can request a quote for 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-6-chloro-2-(trifluoromethyl)pyrimidine-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.