2-(sulfanylmethyl)-1H-pyrimidin-6-one
TL;DR: 2-(sulfanylmethyl)-1H-pyrimidin-6-one (CAS 99979-93-8) is a chemical compound with molecular formula C5H6N2OS and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(sulfanylmethyl)-1H-pyrimidin-6-one
Also Known As: 2-(sulfanylmethyl)-1H-pyrimidin-6-one, 2-(sulfanylmethyl)-3H-pyrimidin-4-one, 4(3H)-Pyrimidinone, 2-(mercaptomethyl)-, 4-Pyrimidinol, 2-(mercaptomethyl)- (6CI)
| Molecular Formula | C5H6N2OS |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 0.1997 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02008 |
| Heavy Atoms | 9 |
| Complexity | 244.71335 |
Chemical Identifiers
| CAS Number | 99979-93-8 |
|---|---|
| SMILES | C1=CN=C(NC1=O)CS |
Product Overview
2-(sulfanylmethyl)-1H-pyrimidin-6-one (CAS 99979-93-8), with molecular formula C5H6N2OS and molecular weight 142.02 g/mol. IUPAC: 2-(sulfanylmethyl)-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(sulfanylmethyl)-1H-pyrimidin-6-one
Property Insights of 2-(sulfanylmethyl)-1H-pyrimidin-6-one
The XLogP value of 0.1997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(sulfanylmethyl)-1H-pyrimidin-6-one. With a topological polar surface area (TPSA) of 45.75 Ų, 2-(sulfanylmethyl)-1H-pyrimidin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(sulfanylmethyl)-1H-pyrimidin-6-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 2-(sulfanylmethyl)-1H-pyrimidin-6-one?
The CAS number of 2-(sulfanylmethyl)-1H-pyrimidin-6-one is 99979-93-8.
What is the molecular formula of 2-(sulfanylmethyl)-1H-pyrimidin-6-one?
The molecular formula of 2-(sulfanylmethyl)-1H-pyrimidin-6-one is C5H6N2OS.
What is the molecular weight of 2-(sulfanylmethyl)-1H-pyrimidin-6-one?
The molecular weight of 2-(sulfanylmethyl)-1H-pyrimidin-6-one is 142.02 g/mol.
Where can I buy 2-(sulfanylmethyl)-1H-pyrimidin-6-one?
You can request a quote for 2-(sulfanylmethyl)-1H-pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(sulfanylmethyl)-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(sulfanylmethyl)-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.