![5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol structure](/static/products/430/430448-06-9.png)
5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol (CAS 430448-06-9) is a chemical compound with molecular formula C14H11Cl2N5S and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol, (E)-5-(2,4-dichlorophenyl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2,4-dichlorophenyl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(2,4-dichlorophenyl)-4-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(2,4-DICHLOROPHENYL)-4-{[(E)-(1-METHYL-1H-PYRROL-2-YL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C14H11Cl2N5S |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 4.13519 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.01123 |
| Heavy Atoms | 22 |
| Complexity | 906.0966 |
Chemical Identifiers
| CAS Number | 430448-06-9 |
|---|---|
| SMILES | CN1C=CC=C1/C=N/N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol (CAS 430448-06-9), with molecular formula C14H11Cl2N5S and molecular weight 351.01 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.13519 indicates that 5-(2,4-dichlorophenyl)-4-{[(1-methyl-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-(2,4-dichlorophenyl)-4-{[(1-methyl-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-(2,4-dichlorophenyl)-4-{[(1-methyl-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-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol is 430448-06-9.
What is the molecular formula of 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol is C14H11Cl2N5S.
What is the molecular weight of 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol is 351.01 g/mol.
Where can I buy 5-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2,4-dichlorophenyl)-4-{[(1-methyl-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-(2,4-dichlorophenyl)-4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-dichlorophenyl)-4-{[(1-methyl-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.