6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione
TL;DR: 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione (CAS 42902-00-1) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione
Also Known As: 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione, 6-Ethyl-5-(2-hydroxy-4-nitrophenyl)pyrimidine-2(1H)-thione
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 2.98239 |
| Topological Polar Surface Area | 92.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 696.85925 |
Chemical Identifiers
| CAS Number | 42902-00-1 |
|---|---|
| SMILES | CCC1=C(C=NC(=S)N1)C2=C(C=C(C=C2)[N+](=O)[O-])O |
Product Overview
6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione (CAS 42902-00-1), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione
Property Insights of 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione
The XLogP value of 2.98239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione. The TPSA of 92.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione. Following Lipinski's Rule of Five, 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione 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-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione?
The CAS number of 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione is 42902-00-1.
What is the molecular formula of 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione?
The molecular formula of 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione is C12H11N3O3S.
What is the molecular weight of 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione?
The molecular weight of 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione is 277.05 g/mol.
Where can I buy 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione?
You can request a quote for 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.