5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478255-36-6) is a chemical compound with molecular formula C17H12ClN5O2S and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(3-Chlorophenyl)-4-((3-(2-nitrophenyl)allylidene)amino)-1H-1,2,4-triazole-5(4H)-thione, 5-(3-CL-PH)-4-((3-(2-NITRO-PH)-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 3-(3-chlorophenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione, 4-[(1E,3E)-4-(2-nitrophenyl)-1-azabuta-1,3-dienyl]-5-(3-chlorophenyl)-1,2,4-tr iazole-3-thiol, 5-(3-chlorophenyl)-4-((E)-((E)-3-(2-nitrophenyl)allylidene)amino)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H12ClN5O2S |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 4.71659 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.04 |
| Heavy Atoms | 26 |
| Complexity | 1070.7653 |
Chemical Identifiers
| CAS Number | 478255-36-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)Cl)[N+](=O)[O-] |
Product Overview
5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478255-36-6), with molecular formula C17H12ClN5O2S and molecular weight 385.04 g/mol. IUPAC: 3-(3-chlorophenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.71659 indicates that 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 478255-36-6.
What is the molecular formula of 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is C17H12ClN5O2S.
What is the molecular weight of 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 385.04 g/mol.
Where can I buy 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)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-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-CL-PH)-4-((3-(2-Nitro-PH)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.