![3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione structure](/static/products/613/613251-13-1.png)
3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione (CAS 613251-13-1) is a chemical compound with molecular formula C20H21N5S and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione, 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-[4-(dimethylamino)phenyl] -1,2,4-triazole-3-thiol, 5-(4-(dimethylamino)phenyl)-4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-[4-(dimethylamino)phenyl]-4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-[4-(dimethylamino)phenyl]-4-{[(E,2E)-2-methyl-3-phenyl-2-propenylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C20H21N5S |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 4.61109 |
| Topological Polar Surface Area | 49.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.15176 |
| Heavy Atoms | 26 |
| Complexity | 979.04596 |
Chemical Identifiers
| CAS Number | 613251-13-1 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)N(C)C |
Product Overview
3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione (CAS 613251-13-1), with molecular formula C20H21N5S and molecular weight 363.15 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.61109 indicates that 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.21 Ų, 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione 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 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is 613251-13-1.
What is the molecular formula of 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is C20H21N5S.
What is the molecular weight of 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is 363.15 g/mol.
Where can I buy 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-dimethylaminophenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.