![5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/3383/338394-36-8.webp)
5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 338394-36-8) is a chemical compound with molecular formula C9H17N3S3 and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol, 2C-049, 3-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C9H17N3S3 |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 2.85249 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.05847 |
| Heavy Atoms | 15 |
| Complexity | 338.6169 |
Chemical Identifiers
| CAS Number | 338394-36-8 |
|---|---|
| SMILES | CCSC(CC1=NNC(=S)N1C)SCC |
Product Overview
5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 338394-36-8), with molecular formula C9H17N3S3 and molecular weight 263.06 g/mol. IUPAC: 3-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.85249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 33.61 Ų, 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 338394-36-8.
What is the molecular formula of 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is C9H17N3S3.
What is the molecular weight of 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 263.06 g/mol.
Where can I buy 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.