5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
TL;DR: 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione (CAS 632292-09-2) is a chemical compound with molecular formula C10H10ClN3S and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-4-methylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 3-(2-chloro-4-methylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione, 4H-1,2,4-triazole-3-thiol, 5-(2-chloro-4-methylphenyl)-4-methyl-, A3133/0132439, 5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazole-3-thiol
| Molecular Formula | C10H10ClN3S |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.0284 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 632292-09-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NNC(=S)N2C)Cl |
| InChIKey | KOLUGUSYZUHLIA-UHFFFAOYSA-N |
Product Overview
5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione (CAS 632292-09-2), with molecular formula C10H10ClN3S and molecular weight 239.03 g/mol. IUPAC: 3-(2-chloro-4-methylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
Property Insights of 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 59.7 Ų, 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione 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
Frequently Asked Questions
What is the CAS number of 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is 632292-09-2.
What is the molecular formula of 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is C10H10ClN3S.
What is the molecular weight of 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is 239.03 g/mol.
Where can I buy 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-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 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloro-4-methylphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.