![ethyl(methyl)[?]thione structure](/static/products/158/158150-79-9.webp)
ethyl(methyl)[?]thione
TL;DR: ethyl(methyl)[?]thione (CAS 158150-79-9) is a chemical compound with molecular formula C16H14N4S2 and molecular weight 326.06598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-9-methyl-12-thia-2,4,9,17-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3(8),4,6,13(18),14,16-heptaene-10-thione
Also Known As: ethyl(methyl)[?]thione, Pyridothienodiazepine analog, MEN 10979, 6,7-Dihydro-7-methyl-12-ethyl-pyrido[2,3-b]pyrido[2,3-4,5]fthieno[2,3-f][1,4]diazepin-6(12H)-thione
Technical Specifications
| Molecular Formula | C16H14N4S2 |
| Molecular Weight | 326.06598 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 92.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.06598 Da |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
| SMILES | CCN1C2=C(C(=S)N(C3=C1N=CC=C3)C)SC4=C2N=CC=C4 |
| InChIKey | YRSMQXBXGMENSN-UHFFFAOYSA-N |
Chemical Property Profile of ethyl(methyl)[?]thione
Property Insights of ethyl(methyl)[?]thione
The XLogP value of 3.3 indicates that ethyl(methyl)[?]thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl(methyl)[?]thione. Following Lipinski's Rule of Five, ethyl(methyl)[?]thione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl(methyl)[?]thione?
The CAS number of ethyl(methyl)[?]thione is 158150-79-9.
What is the molecular formula of ethyl(methyl)[?]thione?
The molecular formula of ethyl(methyl)[?]thione is C16H14N4S2.
What is the molecular weight of ethyl(methyl)[?]thione?
The molecular weight of ethyl(methyl)[?]thione is 326.06598 g/mol.
Where can I buy ethyl(methyl)[?]thione?
You can request a quote for ethyl(methyl)[?]thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl(methyl)[?]thione?
Yes, CoreyChem provides custom synthesis services for ethyl(methyl)[?]thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.