4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione
TL;DR: 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione (CAS 124994-94-1) is a chemical compound with molecular formula C8H12N6S2 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione, 4-ethyl-3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole-5-thione, 5,5'-bis[4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione], 4-ethyl-3-(4-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione, 4-ethyl-5-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C8H12N6S2 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 1.90158 |
| Topological Polar Surface Area | 67.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0565 |
| Heavy Atoms | 16 |
| Complexity | 546.3125 |
Chemical Identifiers
| CAS Number | 124994-94-1 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=NNC(=S)N2CC |
Product Overview
4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione (CAS 124994-94-1), with molecular formula C8H12N6S2 and molecular weight 256.06 g/mol. IUPAC: 4-ethyl-3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione
Property Insights of 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione
The XLogP value of 1.90158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione. The TPSA of 67.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione. Following Lipinski's Rule of Five, 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione has 2 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 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione?
The CAS number of 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione is 124994-94-1.
What is the molecular formula of 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione?
The molecular formula of 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione is C8H12N6S2.
What is the molecular weight of 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione?
The molecular weight of 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione is 256.06 g/mol.
Where can I buy 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione?
You can request a quote for 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-diethyl-1,1',4,4'-tetrahydro-5H,5'H-3,3'-bi-1,2,4-triazole-5,5'-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.