![2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol structure](/static/products/333/333405-19-9.png)
2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol
TL;DR: 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol (CAS 333405-19-9) is a chemical compound with molecular formula C9H8N4O3S and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenol
Also Known As: BAS 02561267, 2-nitro-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenol, 2-nitro-4-[(4H-1,2,4-triazol-3-ylthio)methyl]phenol, 2-Nitro-4-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-phenol, 2-nitro-4-[(1H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol
| Molecular Formula | C9H8N4O3S |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.03171 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 333405-19-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC2=NC=NN2)[N+](=O)[O-])O |
| InChIKey | CXXAUUSUQKWGLH-UHFFFAOYSA-N |
Product Overview
2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol (CAS 333405-19-9), with molecular formula C9H8N4O3S and molecular weight 252.03 g/mol. IUPAC: 2-nitro-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenol.
Chemical Property Profile of 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol
Property Insights of 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol. Following Lipinski's Rule of Five, 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol has 2 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 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol?
The CAS number of 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol is 333405-19-9.
What is the molecular formula of 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol?
The molecular formula of 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol is C9H8N4O3S.
What is the molecular weight of 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol?
The molecular weight of 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol is 252.03 g/mol.
Where can I buy 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol?
You can request a quote for 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.