![3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) structure](/static/products/309/309281-44-5.png)
3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole)
TL;DR: 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) (CAS 309281-44-5) is a chemical compound with molecular formula C14H16N6S2 and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2,5-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole), 3,3'-[(2,5-dimethyl-1,4-phenylene)bis(methylenethio)]bis-4H-1,2,4-triazole, 3,3'-(((2,5-dimethyl-1,4-phenylene)bis(methylene))bis(sulfanediyl))bis(4H-1,2,4-triazole), 3-({2,5-dimethyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]benzyl}sulfanyl)-4H-1,2,4-triazole, 5-[[2,5-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
| Molecular Formula | C14H16N6S2 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.0878 |
| Heavy Atoms | 22 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 309281-44-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1CSC2=NC=NN2)C)CSC3=NC=NN3 |
| InChIKey | MUGPEJVPHDJUAF-UHFFFAOYSA-N |
Product Overview
3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) (CAS 309281-44-5), with molecular formula C14H16N6S2 and molecular weight 332.09 g/mol. IUPAC: 5-[[2,5-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole)
Property Insights of 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole)
The XLogP value of 3.5 indicates that 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole). Following Lipinski's Rule of Five, 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) has 2 hydrogen bond donor(s) and 6 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 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole)?
The CAS number of 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) is 309281-44-5.
What is the molecular formula of 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole)?
The molecular formula of 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) is C14H16N6S2.
What is the molecular weight of 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole)?
The molecular weight of 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) is 332.09 g/mol.
Where can I buy 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole)?
You can request a quote for 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(4H-1,2,4-triazole) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.