4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 478247-46-0) is a chemical compound with molecular formula C9H7Cl2N3S and molecular weight 258.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dichlorophenyl)-2-methyl-1,2,4-triazole-3-thione
Also Known As: 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(3,4-dichlorophenyl)-2-methyl-1,2,4-triazole-3-thione, 4-(3,4-dichlorophenyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
| Molecular Formula | C9H7Cl2N3S |
|---|---|
| Molecular Weight | 258.97 g/mol |
| LogP | 3.24709 |
| Topological Polar Surface Area | 22.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.9738 |
| Heavy Atoms | 15 |
| Complexity | 558.72534 |
Chemical Identifiers
| CAS Number | 478247-46-0 |
|---|---|
| SMILES | CN1C(=S)N(C=N1)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 478247-46-0), with molecular formula C9H7Cl2N3S and molecular weight 258.97 g/mol. IUPAC: 4-(3,4-dichlorophenyl)-2-methyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.24709 indicates that 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.75 Ų, 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 0 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 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 478247-46-0.
What is the molecular formula of 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C9H7Cl2N3S.
What is the molecular weight of 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 258.97 g/mol.
Where can I buy 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-(3,4-dichlorophenyl)-2-methyl-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-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dichlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.