(E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 129081-85-2) is a chemical compound with molecular formula C19H21N5O2S and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3,4-dimethoxyphenyl)-4-[(E)-(4-dimethylaminophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(dimethylamino)phenyl]-1-azavinyl}-5-(3,4-dimethoxyphenyl)-1,2,4- triazole-3-thiol, 5-(3,4-dimethoxyphenyl)-4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3,4-DIMETHOXYPHENYL)-4-({(E)-[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}AMINO)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C19H21N5O2S |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 3.57309 |
| Topological Polar Surface Area | 67.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.1416 |
| Heavy Atoms | 27 |
| Complexity | 1005.68463 |
Chemical Identifiers
| CAS Number | 129081-85-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=C(C=C3)OC)OC |
Product Overview
(E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 129081-85-2), with molecular formula C19H21N5O2S and molecular weight 383.14 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.57309 indicates that (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 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 (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 129081-85-2.
What is the molecular formula of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C19H21N5O2S.
What is the molecular weight of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 383.14 g/mol.
Where can I buy (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-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 (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3,4-dimethoxyphenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.