6-Amino-5-nitropyrimidine-4-thiol
TL;DR: 6-Amino-5-nitropyrimidine-4-thiol (CAS 13754-21-7) is a chemical compound with molecular formula C4H4N4O2S and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-nitro-1H-pyrimidine-4-thione
Also Known As: 6-amino-5-nitropyrimidine-4-thiol, 6-amino-5-nitro-1H-pyrimidine-4-thione, 6-Amino-5-nitropyrimidine-4(3H)-thione, 6-Amino-5-nitropyrimidine-4(1H)-thione, 4(3H)-Pyrimidinethione, 6-amino-5-nitro-
| Molecular Formula | C4H4N4O2S |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 0.62959 |
| Topological Polar Surface Area | 97.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.0055 |
| Heavy Atoms | 11 |
| Complexity | 346.19046 |
Chemical Identifiers
| CAS Number | 13754-21-7 |
|---|---|
| SMILES | C1=NC(=S)C(=C(N1)N)[N+](=O)[O-] |
Product Overview
6-Amino-5-nitropyrimidine-4-thiol (CAS 13754-21-7), with molecular formula C4H4N4O2S and molecular weight 172.01 g/mol. IUPAC: 6-amino-5-nitro-1H-pyrimidine-4-thione.
Chemical Property Profile of 6-Amino-5-nitropyrimidine-4-thiol
Property Insights of 6-Amino-5-nitropyrimidine-4-thiol
The XLogP value of 0.62959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-5-nitropyrimidine-4-thiol. The TPSA of 97.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-5-nitropyrimidine-4-thiol. Following Lipinski's Rule of Five, 6-Amino-5-nitropyrimidine-4-thiol has 2 hydrogen bond donor(s) and 5 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-nitropyrimidine-4-thiol?
The CAS number of 6-Amino-5-nitropyrimidine-4-thiol is 13754-21-7.
What is the molecular formula of 6-Amino-5-nitropyrimidine-4-thiol?
The molecular formula of 6-Amino-5-nitropyrimidine-4-thiol is C4H4N4O2S.
What is the molecular weight of 6-Amino-5-nitropyrimidine-4-thiol?
The molecular weight of 6-Amino-5-nitropyrimidine-4-thiol is 172.01 g/mol.
Where can I buy 6-Amino-5-nitropyrimidine-4-thiol?
You can request a quote for 6-Amino-5-nitropyrimidine-4-thiol 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-nitropyrimidine-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-5-nitropyrimidine-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.