Mdl 19660
TL;DR: Mdl 19660 (CAS 121935-02-2) 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.
5-(4-chlorophenyl)-2,4-dimethyl-1,2,4-triazole-3-thione
Also Known As: Mdl 19660, 5-(4-Chlorophenyl)-2,4-Dimethyl-3H-1,2,4-Triazole-3-Thione, 5-(4-chlorophenyl)-2,4-dimethyl-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione,5-(4-chlorophenyl)-2,4-dihydro-2,4-dimethyl-, 2,4-Dihydro-5-(4-chlorophenyl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione
| Molecular Formula | C10H10ClN3S |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.0284 |
| Heavy Atoms | 15 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 121935-02-2 |
|---|---|
| SMILES | CN1C(=NN(C1=S)C)C2=CC=C(C=C2)Cl |
| InChIKey | BQGRNCIJMQGMBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 19660 (CAS 121935-02-2), with molecular formula C10H10ClN3S and molecular weight 239.03 g/mol. IUPAC: 5-(4-chlorophenyl)-2,4-dimethyl-1,2,4-triazole-3-thione.
Chemical Property Profile of Mdl 19660
Property Insights of Mdl 19660
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 19660. With a topological polar surface area (TPSA) of 50.9 Ų, Mdl 19660 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mdl 19660 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 Mdl 19660?
The CAS number of Mdl 19660 is 121935-02-2.
What is the molecular formula of Mdl 19660?
The molecular formula of Mdl 19660 is C10H10ClN3S.
What is the molecular weight of Mdl 19660?
The molecular weight of Mdl 19660 is 239.03 g/mol.
Where can I buy Mdl 19660?
You can request a quote for Mdl 19660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 19660?
Yes, KEHONG BIO provides custom synthesis services for Mdl 19660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.