Barbituric acid, 5-ethyl-5-isopropyl-2-thio-
TL;DR: Barbituric acid, 5-ethyl-5-isopropyl-2-thio- (CAS 39847-06-8) is a chemical compound with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-Ethyl-5-isopropyl-2-thiobarbituric acid, BARBITURIC ACID, 5-ETHYL-5-ISOPROPYL-2-THIO-, 4-24-00-01936 (Beilstein Handbook Reference), 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylethyl)-2-thioxo-, 5-ethyl-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C9H14N2O2S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 0.5697 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.0776 |
| Heavy Atoms | 14 |
| Complexity | 279.18707 |
Chemical Identifiers
| CAS Number | 39847-06-8 |
|---|---|
| SMILES | CCC1(C(=O)NC(=S)NC1=O)C(C)C |
Product Overview
Barbituric acid, 5-ethyl-5-isopropyl-2-thio- (CAS 39847-06-8), with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol. IUPAC: 5-ethyl-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-isopropyl-2-thio-
Property Insights of Barbituric acid, 5-ethyl-5-isopropyl-2-thio-
The XLogP value of 0.5697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-isopropyl-2-thio-. With a topological polar surface area (TPSA) of 58.2 Ų, Barbituric acid, 5-ethyl-5-isopropyl-2-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-isopropyl-2-thio- 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 Barbituric acid, 5-ethyl-5-isopropyl-2-thio-?
The CAS number of Barbituric acid, 5-ethyl-5-isopropyl-2-thio- is 39847-06-8.
What is the molecular formula of Barbituric acid, 5-ethyl-5-isopropyl-2-thio-?
The molecular formula of Barbituric acid, 5-ethyl-5-isopropyl-2-thio- is C9H14N2O2S.
What is the molecular weight of Barbituric acid, 5-ethyl-5-isopropyl-2-thio-?
The molecular weight of Barbituric acid, 5-ethyl-5-isopropyl-2-thio- is 214.08 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-isopropyl-2-thio-?
You can request a quote for Barbituric acid, 5-ethyl-5-isopropyl-2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-ethyl-5-isopropyl-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-isopropyl-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.