硫替比妥
TL;DR: 硫替比妥 (CAS 467-38-9) is a chemical compound with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫替比妥
5-ethyl-5-hexan-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Thiotetrabarbital, Thiotetramalum, Tiotetrabarbital, Thiotetrabarbital [INN], 5-Ethyl-5-(1-ethylbutyl)-2-thiobarbituric acid
| Molecular Formula | C12H20N2O2S |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 1.74 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.12454 |
| Heavy Atoms | 17 |
| Complexity | 321.39734 |
Chemical Identifiers
| CAS Number | 467-38-9 |
|---|---|
| SMILES | CCCC(CC)C1(C(=O)NC(=S)NC1=O)CC |
Product Overview
硫替比妥 (CAS 467-38-9), with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol. IUPAC: 5-ethyl-5-hexan-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 硫替比妥
Property Insights of 硫替比妥
The XLogP value of 1.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫替比妥. With a topological polar surface area (TPSA) of 58.2 Ų, 硫替比妥 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫替比妥 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 硫替比妥?
The CAS number of 硫替比妥 is 467-38-9.
What is the molecular formula of 硫替比妥?
The molecular formula of 硫替比妥 is C12H20N2O2S.
What is the molecular weight of 硫替比妥?
The molecular weight of 硫替比妥 is 256.12 g/mol.
Where can I buy 硫替比妥?
You can request a quote for 硫替比妥 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫替比妥?
Yes, KEHONG BIO provides custom synthesis services for 硫替比妥 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.