(2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate
TL;DR: (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate (CAS 4874-42-4) is a chemical compound with molecular formula C6H5N3O2S and molecular weight 183.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate
Also Known As: (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate, 5-thiocyanatomethyl-1H-pyrimidine-2,4-dione, 5-(thiocyanatomethyl)-1H-pyrimidine-2,4-dione, (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl thiocyanate
| Molecular Formula | C6H5N3O2S |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.01025 |
| Heavy Atoms | 12 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 4874-42-4 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CSC#N |
| InChIKey | UVZLQDAGIPVWPQ-UHFFFAOYSA-N |
Product Overview
(2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate (CAS 4874-42-4), with molecular formula C6H5N3O2S and molecular weight 183.01 g/mol. IUPAC: (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate.
Chemical Property Profile of (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate
Property Insights of (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate
The XLogP value of -1.1 indicates that (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate. Following Lipinski's Rule of Five, (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate has 2 hydrogen bond donor(s) and 4 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 (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate?
The CAS number of (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate is 4874-42-4.
What is the molecular formula of (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate?
The molecular formula of (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate is C6H5N3O2S.
What is the molecular weight of (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate?
The molecular weight of (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate is 183.01 g/mol.
Where can I buy (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate?
You can request a quote for (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.