5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 866813-12-9) is a chemical compound with molecular formula C10H7ClN2O3S2 and molecular weight 301.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one, 5-[(4-chlorophenyl)sulfonyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, F1605-0388, 5-(4-CHLOROBENZENESULFONYL)-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDIN-4-ONE
| Molecular Formula | C10H7ClN2O3S2 |
|---|---|
| Molecular Weight | 301.96 g/mol |
| LogP | 1.91869 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.95865 |
| Heavy Atoms | 18 |
| Complexity | 790.8628 |
Chemical Identifiers
| CAS Number | 866813-12-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C2=CNC(=S)NC2=O)Cl |
Product Overview
5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 866813-12-9), with molecular formula C10H7ClN2O3S2 and molecular weight 301.96 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 1.91869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one 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 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one is 866813-12-9.
What is the molecular formula of 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one is C10H7ClN2O3S2.
What is the molecular weight of 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one is 301.96 g/mol.
Where can I buy 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.