1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one (CAS 21320-99-0) is a chemical compound with molecular formula C10H8N2OS and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-phenyl-2-sulfanylidenepyrimidin-4-one, 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, 4(1H)-Pyrimidinone, 2,3-dihydro-1-phenyl-2-thioxo-, RefChem:233119
| Molecular Formula | C10H8N2OS |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 1.89509 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.03574 |
| Heavy Atoms | 14 |
| Complexity | 541.79364 |
Chemical Identifiers
| CAS Number | 21320-99-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CC(=O)NC2=S |
Product Overview
1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one (CAS 21320-99-0), with molecular formula C10H8N2OS and molecular weight 204.04 g/mol. IUPAC: 1-phenyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 1.89509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one. With a topological polar surface area (TPSA) of 37.79 Ų, 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one has 1 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 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is 21320-99-0.
What is the molecular formula of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is C10H8N2OS.
What is the molecular weight of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is 204.04 g/mol.
Where can I buy 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-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 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.