5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
TL;DR: 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one (CAS 28495-84-3) is a chemical compound with molecular formula C11H10N2OS and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-4-sulfanylidene-1H-pyrimidin-2-one
Also Known As: 5-benzyl-4-sulfanylidene-1H-pyrimidin-2-one, 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one, 5-benzyl-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one, 5-benzyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 2.02329 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05139 |
| Heavy Atoms | 15 |
| Complexity | 556.5458 |
Chemical Identifiers
| CAS Number | 28495-84-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CNC(=O)NC2=S |
Product Overview
5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one (CAS 28495-84-3), with molecular formula C11H10N2OS and molecular weight 218.05 g/mol. IUPAC: 5-benzyl-4-sulfanylidene-1H-pyrimidin-2-one.
Chemical Property Profile of 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
Property Insights of 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
The XLogP value of 2.02329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one. With a topological polar surface area (TPSA) of 48.65 Ų, 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one has 2 hydrogen bond donor(s) and 2 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 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
The CAS number of 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one is 28495-84-3.
What is the molecular formula of 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
The molecular formula of 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one is C11H10N2OS.
What is the molecular weight of 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
The molecular weight of 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one is 218.05 g/mol.
Where can I buy 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
You can request a quote for 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-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 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.