6-Amino-5-fluoro-2(1H)-pyrimidinethione
TL;DR: 6-Amino-5-fluoro-2(1H)-pyrimidinethione (CAS 67316-49-8) is a chemical compound with molecular formula C4H4FN3S and molecular weight 145.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-fluoro-1H-pyrimidine-2-thione
Also Known As: 5-Fluoro-2-thiocytosine, 5-F-Tcyt, 6-amino-5-fluoro-1H-pyrimidine-2-thione, 4-Amino-5-fluoro-2-pyrimidinethiol, 4-amino-5-fluoropyrimidine-2-thiol
| Molecular Formula | C4H4FN3S |
|---|---|
| Molecular Weight | 145.01 g/mol |
| LogP | 0.86049 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.011 |
| Heavy Atoms | 9 |
| Complexity | 268.7604 |
Chemical Identifiers
| CAS Number | 67316-49-8 |
|---|---|
| SMILES | C1=NC(=S)NC(=C1F)N |
Product Overview
6-Amino-5-fluoro-2(1H)-pyrimidinethione (CAS 67316-49-8), with molecular formula C4H4FN3S and molecular weight 145.01 g/mol. IUPAC: 6-amino-5-fluoro-1H-pyrimidine-2-thione.
Chemical Property Profile of 6-Amino-5-fluoro-2(1H)-pyrimidinethione
Property Insights of 6-Amino-5-fluoro-2(1H)-pyrimidinethione
The XLogP value of 0.86049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-5-fluoro-2(1H)-pyrimidinethione. With a topological polar surface area (TPSA) of 54.7 Ų, 6-Amino-5-fluoro-2(1H)-pyrimidinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Amino-5-fluoro-2(1H)-pyrimidinethione 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 6-Amino-5-fluoro-2(1H)-pyrimidinethione?
The CAS number of 6-Amino-5-fluoro-2(1H)-pyrimidinethione is 67316-49-8.
What is the molecular formula of 6-Amino-5-fluoro-2(1H)-pyrimidinethione?
The molecular formula of 6-Amino-5-fluoro-2(1H)-pyrimidinethione is C4H4FN3S.
What is the molecular weight of 6-Amino-5-fluoro-2(1H)-pyrimidinethione?
The molecular weight of 6-Amino-5-fluoro-2(1H)-pyrimidinethione is 145.01 g/mol.
Where can I buy 6-Amino-5-fluoro-2(1H)-pyrimidinethione?
You can request a quote for 6-Amino-5-fluoro-2(1H)-pyrimidinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-5-fluoro-2(1H)-pyrimidinethione?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-5-fluoro-2(1H)-pyrimidinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.