5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478254-32-9) is a chemical compound with molecular formula C14H12ClN5S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(2-Chlorophenyl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-1H-1,2,4-triazole-5(4H)-thione, 5-(2-CL-PH)-4-(((1-ME-1H-PYRROL-2-YL)METHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(2-chlorophenyl)-1,2,4-triazole- 3-thiol, 3-(2-chlorophenyl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 648-070-7
| Molecular Formula | C14H12ClN5S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 3.48179 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0502 |
| Heavy Atoms | 21 |
| Complexity | 858.1291 |
Chemical Identifiers
| CAS Number | 478254-32-9 |
|---|---|
| SMILES | CN1C=CC=C1/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl |
Product Overview
5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478254-32-9), with molecular formula C14H12ClN5S and molecular weight 317.05 g/mol. IUPAC: 3-(2-chlorophenyl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.48179 indicates that 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-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 50.9 Ų, 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol is 478254-32-9.
What is the molecular formula of 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol is C14H12ClN5S.
What is the molecular weight of 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol is 317.05 g/mol.
Where can I buy 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-CL-PH)-4-(((1-ME-1H-Pyrrol-2-YL)methylene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.