![4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol structure](/static/products/4000/400083-68-3.webp)
4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol (CAS 400083-68-3) is a chemical compound with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol, 3-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 3-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 4-allyl-3-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H16N4O2S2 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 3.93439 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.07147 |
| Heavy Atoms | 24 |
| Complexity | 926.30304 |
Chemical Identifiers
| CAS Number | 400083-68-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC(=CS2)C3=NNC(=S)N3CC=C)OC |
Product Overview
4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol (CAS 400083-68-3), with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.93439 indicates that 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-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 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol is 400083-68-3.
What is the molecular formula of 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol is C16H16N4O2S2.
What is the molecular weight of 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol is 360.07 g/mol.
Where can I buy 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-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 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.