2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-
TL;DR: 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)- (CAS 73768-70-4) is a chemical compound with molecular formula C10H6N4O5S and molecular weight 294.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-2-one
Also Known As: 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-, 4-((2,4-Dinitrophenyl)thio)-2(1H)-pyrimidine, 4-({2,4-dinitrophenyl}sulfanyl)-2(1H)-pyrimidinone, 6-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-2-one, AJ-333/15478121
| Molecular Formula | C10H6N4O5S |
|---|---|
| Molecular Weight | 294.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0059 |
| Heavy Atoms | 20 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 73768-70-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=CC=NC(=O)N2 |
| InChIKey | DYGSJILRTHPXBS-UHFFFAOYSA-N |
Product Overview
2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)- (CAS 73768-70-4), with molecular formula C10H6N4O5S and molecular weight 294.01 g/mol. IUPAC: 6-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-2-one.
Chemical Property Profile of 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-
Property Insights of 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-. The TPSA of 158.0 Ų indicates high polarity, suggesting 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)- has 1 hydrogen bond donor(s) and 6 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 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-?
The CAS number of 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)- is 73768-70-4.
What is the molecular formula of 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-?
The molecular formula of 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)- is C10H6N4O5S.
What is the molecular weight of 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-?
The molecular weight of 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)- is 294.01 g/mol.
Where can I buy 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-?
You can request a quote for 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidine, 4-((2,4-dinitrophenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.