6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione
TL;DR: 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione (CAS 301333-07-3) is a chemical compound with molecular formula C11H9N3O4S and molecular weight 279.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione
Also Known As: 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione, 6-Methyl-5-[(2-nitrophenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H9N3O4S |
|---|---|
| Molecular Weight | 279.03 g/mol |
| LogP | 1.43102 |
| Topological Polar Surface Area | 108.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.03137 |
| Heavy Atoms | 19 |
| Complexity | 750.0909 |
Chemical Identifiers
| CAS Number | 301333-07-3 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)SC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione (CAS 301333-07-3), with molecular formula C11H9N3O4S and molecular weight 279.03 g/mol. IUPAC: 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione
Property Insights of 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione
The XLogP value of 1.43102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione. The TPSA of 108.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione 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-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The CAS number of 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione is 301333-07-3.
What is the molecular formula of 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The molecular formula of 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione is C11H9N3O4S.
What is the molecular weight of 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The molecular weight of 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione is 279.03 g/mol.
Where can I buy 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
You can request a quote for 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-5-(2-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.