![4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/1181/118159-01-6.webp)
4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol (CAS 118159-01-6) is a chemical compound with molecular formula C13H9N5O2S2 and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-nitrophenyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol, 4-[(3-nitrophenyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H9N5O2S2 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 3.45959 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.01978 |
| Heavy Atoms | 22 |
| Complexity | 895.30365 |
Chemical Identifiers
| CAS Number | 118159-01-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NN2C(=NNC2=S)C3=CC=CS3 |
Product Overview
4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol (CAS 118159-01-6), with molecular formula C13H9N5O2S2 and molecular weight 331.02 g/mol. IUPAC: 4-[(3-nitrophenyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.45959 indicates that 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-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 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 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 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol is 118159-01-6.
What is the molecular formula of 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol is C13H9N5O2S2.
What is the molecular weight of 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol is 331.02 g/mol.
Where can I buy 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-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 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.