![4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione structure](/static/products/1258/125866-63-9.webp)
4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 125866-63-9) is a chemical compound with molecular formula C17H15ClN4O2S and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[(4-chlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(4-Chlorophenyl)methylidene]amino}-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H15ClN4O2S |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 4.16049 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.06042 |
| Heavy Atoms | 25 |
| Complexity | 963.52435 |
Chemical Identifiers
| CAS Number | 125866-63-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)Cl)OC |
Product Overview
4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 125866-63-9), with molecular formula C17H15ClN4O2S and molecular weight 374.06 g/mol. IUPAC: 4-[(4-chlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.16049 indicates that 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 5 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-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 125866-63-9.
What is the molecular formula of 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C17H15ClN4O2S.
What is the molecular weight of 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 374.06 g/mol.
Where can I buy 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(4-Chlorophenyl)methylene]amino]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.