4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-
TL;DR: 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso- (CAS 52222-43-2) is a chemical compound with molecular formula C5H7N5OS and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-5-nitrosopyrimidine-4,6-diamine
Also Known As: 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-, 2-methylsulfanyl-5-nitrosopyrimidine-4,6-diamine, 2-(methylsulfanyl)-5-nitrosopyrimidine-4,6-diamine, 2-(Methylthio)-5-nitrosopyrimidine-4,6-diamine, 2-methylthio-5-nitrosopyrimidine-4,6-diamine
| Molecular Formula | C5H7N5OS |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.03712 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 52222-43-2 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)N)N=O)N |
| InChIKey | QHDIORZOMVHNGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso- (CAS 52222-43-2), with molecular formula C5H7N5OS and molecular weight 185.04 g/mol. IUPAC: 2-methylsulfanyl-5-nitrosopyrimidine-4,6-diamine.
Chemical Property Profile of 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-
Property Insights of 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-. Following Lipinski's Rule of Five, 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso- has 2 hydrogen bond donor(s) and 7 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 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-?
The CAS number of 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso- is 52222-43-2.
What is the molecular formula of 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-?
The molecular formula of 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso- is C5H7N5OS.
What is the molecular weight of 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-?
The molecular weight of 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso- is 185.04 g/mol.
Where can I buy 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-?
You can request a quote for 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.