6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 6096-22-6) is a chemical compound with molecular formula C5H4Cl2N2OS and molecular weight 209.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one, 6-(Dichloromethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C5H4Cl2N2OS |
|---|---|
| Molecular Weight | 209.94 g/mol |
| LogP | 1.90869 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.94214 |
| Heavy Atoms | 11 |
| Complexity | 327.74033 |
Chemical Identifiers
| CAS Number | 6096-22-6 |
|---|---|
| SMILES | C1=C(NC(=S)NC1=O)C(Cl)Cl |
Product Overview
6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 6096-22-6), with molecular formula C5H4Cl2N2OS and molecular weight 209.94 g/mol. IUPAC: 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 1.90869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one. With a topological polar surface area (TPSA) of 48.65 Ų, 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-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 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 6096-22-6.
What is the molecular formula of 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one is C5H4Cl2N2OS.
What is the molecular weight of 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 209.94 g/mol.
Where can I buy 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 6-(dichloromethyl)-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 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(dichloromethyl)-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.