(E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide
TL;DR: (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide (CAS 347906-31-4) is a chemical compound with molecular formula C16H14N6O3S2 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Also Known As: (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide, 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide, 2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
| Molecular Formula | C16H14N6O3S2 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 2.6942 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.0569 |
| Heavy Atoms | 27 |
| Complexity | 983.9694 |
Chemical Identifiers
| CAS Number | 347906-31-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide (CAS 347906-31-4), with molecular formula C16H14N6O3S2 and molecular weight 402.06 g/mol. IUPAC: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide
Property Insights of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide
The XLogP value of 2.6942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide has 1 hydrogen bond donor(s) and 8 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 (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
The CAS number of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide is 347906-31-4.
What is the molecular formula of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
The molecular formula of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide is C16H14N6O3S2.
What is the molecular weight of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
The molecular weight of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide is 402.06 g/mol.
Where can I buy (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
You can request a quote for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.