5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone
TL;DR: 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone (CAS 30006-22-5) is a chemical compound with molecular formula C8H12N2OS2 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one
Also Known As: 5,5-diethyl-2,6-disulfanylidene-1,3-diazinan-4-one, 5,5-diethyl-2,6-dithioxo-tetrahydro-pyrimidin-4-one, 5,5-diethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one, 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone
| Molecular Formula | C8H12N2OS2 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 1.1245 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03911 |
| Heavy Atoms | 13 |
| Complexity | 249.3176 |
Chemical Identifiers
| CAS Number | 30006-22-5 |
|---|---|
| SMILES | CCC1(C(=O)NC(=S)NC1=S)CC |
Product Overview
5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone (CAS 30006-22-5), with molecular formula C8H12N2OS2 and molecular weight 216.04 g/mol. IUPAC: 5,5-diethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one.
Chemical Property Profile of 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone
Property Insights of 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone
The XLogP value of 1.1245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone. With a topological polar surface area (TPSA) of 41.13 Ų, 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone has 2 hydrogen bond donor(s) and 3 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 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone?
The CAS number of 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone is 30006-22-5.
What is the molecular formula of 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone?
The molecular formula of 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone is C8H12N2OS2.
What is the molecular weight of 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone?
The molecular weight of 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone is 216.04 g/mol.
Where can I buy 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone?
You can request a quote for 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 5,5-diethyl-2,6-dithioxotetrahydro-4(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.