2-Amino-6-sulfanylpyrimidin-4(3H)-one
TL;DR: 2-Amino-6-sulfanylpyrimidin-4(3H)-one (CAS 89891-55-4) is a chemical compound with molecular formula C4H5N3OS and molecular weight 143.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-sulfanyl-1H-pyrimidin-6-one
Also Known As: 2-amino-6-sulfanylpyrimidin-4(3h)-one, 2-Amino-6-mercaptopyrimidin-4(1H)-one, 2-amino-4-sulfanyl-1H-pyrimidin-6-one, 4(3H)-Pyrimidinone,2-amino-6-mercapto-, 4(1H)-Pyrimidinone, 2-amino-6-mercapto-
| Molecular Formula | C4H5N3OS |
|---|---|
| Molecular Weight | 143.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.01534 |
| Heavy Atoms | 9 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 89891-55-4 |
|---|---|
| SMILES | C1=C(N=C(NC1=O)N)S |
| InChIKey | DANMWFUINURCJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-6-sulfanylpyrimidin-4(3H)-one (CAS 89891-55-4), with molecular formula C4H5N3OS and molecular weight 143.02 g/mol. IUPAC: 2-amino-4-sulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Amino-6-sulfanylpyrimidin-4(3H)-one
Property Insights of 2-Amino-6-sulfanylpyrimidin-4(3H)-one
The XLogP value of -0.9 indicates that 2-Amino-6-sulfanylpyrimidin-4(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-sulfanylpyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-Amino-6-sulfanylpyrimidin-4(3H)-one has 3 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 2-Amino-6-sulfanylpyrimidin-4(3H)-one?
The CAS number of 2-Amino-6-sulfanylpyrimidin-4(3H)-one is 89891-55-4.
What is the molecular formula of 2-Amino-6-sulfanylpyrimidin-4(3H)-one?
The molecular formula of 2-Amino-6-sulfanylpyrimidin-4(3H)-one is C4H5N3OS.
What is the molecular weight of 2-Amino-6-sulfanylpyrimidin-4(3H)-one?
The molecular weight of 2-Amino-6-sulfanylpyrimidin-4(3H)-one is 143.02 g/mol.
Where can I buy 2-Amino-6-sulfanylpyrimidin-4(3H)-one?
You can request a quote for 2-Amino-6-sulfanylpyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-sulfanylpyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-sulfanylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.