6-methoxy-5-nitro-1H-pyrimidine-4-thione
TL;DR: 6-methoxy-5-nitro-1H-pyrimidine-4-thione (CAS 7154-33-8) is a chemical compound with molecular formula C5H5N3O3S and molecular weight 187.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-5-nitro-1H-pyrimidine-4-thione
Also Known As: 6-methoxy-5-nitropyrimidine-4-thiol, 6-methoxy-5-nitro-1H-pyrimidine-4-thione, 6-methoxy-5-nitro-3H-pyrimidine-4-thione, 6-Methoxy-5-nitropyrimidine-4(1H)-thione
| Molecular Formula | C5H5N3O3S |
|---|---|
| Molecular Weight | 187.01 g/mol |
| LogP | 1.05599 |
| Topological Polar Surface Area | 81.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.00516 |
| Heavy Atoms | 12 |
| Complexity | 361.20123 |
Chemical Identifiers
| CAS Number | 7154-33-8 |
|---|---|
| SMILES | COC1=C(C(=S)N=CN1)[N+](=O)[O-] |
Product Overview
6-methoxy-5-nitro-1H-pyrimidine-4-thione (CAS 7154-33-8), with molecular formula C5H5N3O3S and molecular weight 187.01 g/mol. IUPAC: 6-methoxy-5-nitro-1H-pyrimidine-4-thione.
Chemical Property Profile of 6-methoxy-5-nitro-1H-pyrimidine-4-thione
Property Insights of 6-methoxy-5-nitro-1H-pyrimidine-4-thione
The XLogP value of 1.05599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methoxy-5-nitro-1H-pyrimidine-4-thione. The TPSA of 81.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methoxy-5-nitro-1H-pyrimidine-4-thione. Following Lipinski's Rule of Five, 6-methoxy-5-nitro-1H-pyrimidine-4-thione has 1 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-methoxy-5-nitro-1H-pyrimidine-4-thione?
The CAS number of 6-methoxy-5-nitro-1H-pyrimidine-4-thione is 7154-33-8.
What is the molecular formula of 6-methoxy-5-nitro-1H-pyrimidine-4-thione?
The molecular formula of 6-methoxy-5-nitro-1H-pyrimidine-4-thione is C5H5N3O3S.
What is the molecular weight of 6-methoxy-5-nitro-1H-pyrimidine-4-thione?
The molecular weight of 6-methoxy-5-nitro-1H-pyrimidine-4-thione is 187.01 g/mol.
Where can I buy 6-methoxy-5-nitro-1H-pyrimidine-4-thione?
You can request a quote for 6-methoxy-5-nitro-1H-pyrimidine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methoxy-5-nitro-1H-pyrimidine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-methoxy-5-nitro-1H-pyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.