5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione
TL;DR: 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione (CAS 23430-95-7) is a chemical compound with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-Benzyl-5-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol, BAS 15425079, 4h-1,2,4-triazole-3-thiol, 5-(4-chlorophenyl)-4-(phenylmethyl)-, 4-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H12ClN3S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.04404 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 23430-95-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl |
| InChIKey | ZGCSGEGQJRCSDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione (CAS 23430-95-7), with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol. IUPAC: 4-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione
Property Insights of 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 3.8 indicates that 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-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 59.7 Ų, 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-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-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione is 23430-95-7.
What is the molecular formula of 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione is C15H12ClN3S.
What is the molecular weight of 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione is 301.04 g/mol.
Where can I buy 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-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-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.