![3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/4666/466645-03-4.webp)
3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 466645-03-4) is a chemical compound with molecular formula C10H7Cl3N4S and molecular weight 319.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-methyl-4-[(Z)-(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 2,4-Dihydro-5-methyl-4-[[(2,3,6-trichlorophenyl)methylene]amino]-3H-1,2,4-triazole-3-thione
| Molecular Formula | C10H7Cl3N4S |
|---|---|
| Molecular Weight | 319.95 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.9457 |
| Heavy Atoms | 18 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 466645-03-4 |
|---|---|
| SMILES | CC1=NNC(=S)N1N=CC2=C(C=CC(=C2Cl)Cl)Cl |
| InChIKey | RLJNZUGJKSSECY-UHFFFAOYSA-N |
Product Overview
3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 466645-03-4), with molecular formula C10H7Cl3N4S and molecular weight 319.95 g/mol. IUPAC: 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 3.5 indicates that 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 3 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-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 466645-03-4.
What is the molecular formula of 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is C10H7Cl3N4S.
What is the molecular weight of 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 319.95 g/mol.
Where can I buy 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-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-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-[(2,3,6-trichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.