N-Methyl-thiobutabarbital
TL;DR: N-Methyl-thiobutabarbital (CAS 29639-65-4) is a chemical compound with molecular formula C11H18N2O2S and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butan-2-yl-5-ethyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: N-Methyl-thiobutabarbital, 5-sec-Butyl-5-ethyl-1-methyl-2-thio-barbituric acid, BARBITURIC ACID, 5-sec-BUTYL-5-ETHYL-1-METHYL-2-THIO-, 5-(Butan-2-yl)-5-ethyl-6-hydroxy-3-methyl-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one, 5-(butan-2-yl)-5-ethyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C11H18N2O2S |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 1.302 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.1089 |
| Heavy Atoms | 16 |
| Complexity | 342.87625 |
Chemical Identifiers
| CAS Number | 29639-65-4 |
|---|---|
| SMILES | CCC(C)C1(C(=O)NC(=S)N(C1=O)C)CC |
Product Overview
N-Methyl-thiobutabarbital (CAS 29639-65-4), with molecular formula C11H18N2O2S and molecular weight 242.11 g/mol. IUPAC: 5-butan-2-yl-5-ethyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of N-Methyl-thiobutabarbital
Property Insights of N-Methyl-thiobutabarbital
The XLogP value of 1.302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-thiobutabarbital. With a topological polar surface area (TPSA) of 49.41 Ų, N-Methyl-thiobutabarbital exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-thiobutabarbital has 1 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 N-Methyl-thiobutabarbital?
The CAS number of N-Methyl-thiobutabarbital is 29639-65-4.
What is the molecular formula of N-Methyl-thiobutabarbital?
The molecular formula of N-Methyl-thiobutabarbital is C11H18N2O2S.
What is the molecular weight of N-Methyl-thiobutabarbital?
The molecular weight of N-Methyl-thiobutabarbital is 242.11 g/mol.
Where can I buy N-Methyl-thiobutabarbital?
You can request a quote for N-Methyl-thiobutabarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-thiobutabarbital?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-thiobutabarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.