4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 857495-78-4) is a chemical compound with molecular formula C12H12ClN3S and molecular weight 265.04404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloro-4-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol, 3-(2-chloro-4-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, AO-080/43342667, 5-(2-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 5-(2-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C12H12ClN3S |
| Molecular Weight | 265.04404 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.04404 Da |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
| SMILES | CC1=CC(=C(C=C1)C2=NNC(=S)N2CC=C)Cl |
| InChIKey | LZLJBOBKQPCCCB-UHFFFAOYSA-N |
Chemical Property Profile of 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.3 indicates that 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol is 857495-78-4.
What is the molecular formula of 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol is C12H12ClN3S.
What is the molecular weight of 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol is 265.04404 g/mol.
Where can I buy 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-allyl-5-(2-chloro-4-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.