Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate
TL;DR: Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate (CAS 31338-86-0) is a chemical compound with molecular formula C8H11N3O2S2 and molecular weight 245.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate
Also Known As: ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate, 3,5-bis-methylsulfanyl-[1,2,4]triazine-6-carboxylic acid eth, 1,2,4-Triazine-6-carboxylic acid, 3,5-bis(methylthio)-, ethyl ester, 1,2,4-Triazine-6-carboxylicacid, 3,5-bis(methylthio)-, ethyl ester
| Molecular Formula | C8H11N3O2S2 |
|---|---|
| Molecular Weight | 245.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.02927 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 31338-86-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)SC)SC |
| InChIKey | SQXQPUUOZNZGQO-UHFFFAOYSA-N |
Product Overview
Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate (CAS 31338-86-0), with molecular formula C8H11N3O2S2 and molecular weight 245.03 g/mol. IUPAC: ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate
Property Insights of Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate has 0 hydrogen bond donor(s) and 7 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 Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate?
The CAS number of Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate is 31338-86-0.
What is the molecular formula of Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate?
The molecular formula of Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate is C8H11N3O2S2.
What is the molecular weight of Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate?
The molecular weight of Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate is 245.03 g/mol.
Where can I buy Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate?
You can request a quote for Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-bis(methylsulfanyl)-1,2,4-triazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.