5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 42039-83-8) is a chemical compound with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (1-methyl-propyl)-2-thio-barbiturate, 5-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(Butan-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 4,6(1H,5H)-PYRIMIDINEDIONE,DIHYDRO-5-(1-METHYLPROPYL)-2-THIOXO-, RefChem:302100
| Molecular Formula | C8H12N2O2S |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 0.1796 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.06195 |
| Heavy Atoms | 13 |
| Complexity | 244.86964 |
Chemical Identifiers
| CAS Number | 42039-83-8 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(=S)NC1=O |
Product Overview
5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 42039-83-8), with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol. IUPAC: 5-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 0.1796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione 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-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 42039-83-8.
What is the molecular formula of 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is C8H12N2O2S.
What is the molecular weight of 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 200.06 g/mol.
Where can I buy 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.