6-mercaptopyrimidin-4(1H)-one
TL;DR: 6-mercaptopyrimidin-4(1H)-one (CAS 1450-85-7) is a chemical compound with molecular formula C4H4N2OS and molecular weight 128.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanyl-1H-pyrimidin-6-one
Also Known As: 6-mercaptopyrimidin-4(1H)-one, 4-sulfanyl-1H-pyrimidin-6-one, 6-sulfanylpyrimidin-4-ol, 6-MERCAPTO-4(1H)-PYRIMIDINONE, 4(1H)-Pyrimidinone, 6-mercapto-
| Molecular Formula | C4H4N2OS |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.00444 |
| Heavy Atoms | 8 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 1450-85-7 |
|---|---|
| SMILES | C1=C(N=CNC1=O)S |
| InChIKey | QXFVCKOCNCYDQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-mercaptopyrimidin-4(1H)-one (CAS 1450-85-7), with molecular formula C4H4N2OS and molecular weight 128.00 g/mol. IUPAC: 4-sulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 6-mercaptopyrimidin-4(1H)-one
Property Insights of 6-mercaptopyrimidin-4(1H)-one
The XLogP value of -0.4 indicates that 6-mercaptopyrimidin-4(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.5 Ų, 6-mercaptopyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-mercaptopyrimidin-4(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-mercaptopyrimidin-4(1H)-one?
The CAS number of 6-mercaptopyrimidin-4(1H)-one is 1450-85-7.
What is the molecular formula of 6-mercaptopyrimidin-4(1H)-one?
The molecular formula of 6-mercaptopyrimidin-4(1H)-one is C4H4N2OS.
What is the molecular weight of 6-mercaptopyrimidin-4(1H)-one?
The molecular weight of 6-mercaptopyrimidin-4(1H)-one is 128.00 g/mol.
Where can I buy 6-mercaptopyrimidin-4(1H)-one?
You can request a quote for 6-mercaptopyrimidin-4(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-mercaptopyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-mercaptopyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.