6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one
TL;DR: 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one (CAS 6958-48-1) is a chemical compound with molecular formula C5H7N3OS and molecular weight 157.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-methylsulfanyl-1H-pyrimidin-2-one
Also Known As: diethylsulfamoyl chloride, 6-amino-4-(methylsulfanyl)pyrimidin-2(1h)-one, 6-amino-4-methylsulfanyl-1H-pyrimidin-2-one, 6-Amino-4-(methylthio)pyrimidin-2(1H)-one
| Molecular Formula | C5H7N3OS |
|---|---|
| Molecular Weight | 157.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.03099 |
| Heavy Atoms | 10 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 6958-48-1 |
|---|---|
| SMILES | CSC1=NC(=O)NC(=C1)N |
| InChIKey | JNCLHAIJSNQOCT-UHFFFAOYSA-N |
Product Overview
6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one (CAS 6958-48-1), with molecular formula C5H7N3OS and molecular weight 157.03 g/mol. IUPAC: 6-amino-4-methylsulfanyl-1H-pyrimidin-2-one.
Chemical Property Profile of 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one
Property Insights of 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one
The XLogP value of -0.3 indicates that 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one. Following Lipinski's Rule of Five, 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one has 2 hydrogen bond donor(s) and 3 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-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one?
The CAS number of 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one is 6958-48-1.
What is the molecular formula of 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one?
The molecular formula of 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one is C5H7N3OS.
What is the molecular weight of 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one?
The molecular weight of 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one is 157.03 g/mol.
Where can I buy 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one?
You can request a quote for 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-4-(methylsulfanyl)pyrimidin-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.