![4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol structure](/static/products/3260/326012-83-3.webp)
4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol
TL;DR: 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol (CAS 326012-83-3) is a chemical compound with molecular formula C16H14N4OS and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]phenol
Also Known As: 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol, 4-({[3-(Benzylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
| Molecular Formula | C16H14N4OS |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 3.1582 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.08884 |
| Heavy Atoms | 22 |
| Complexity | 753.33167 |
Chemical Identifiers
| CAS Number | 326012-83-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=CN2N=CC3=CC=C(C=C3)O |
Product Overview
4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol (CAS 326012-83-3), with molecular formula C16H14N4OS and molecular weight 310.09 g/mol. IUPAC: 4-[(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]phenol.
Chemical Property Profile of 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol
Property Insights of 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol
The XLogP value of 3.1582 indicates that 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol. Following Lipinski's Rule of Five, 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol 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 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol?
The CAS number of 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol is 326012-83-3.
What is the molecular formula of 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol?
The molecular formula of 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol is C16H14N4OS.
What is the molecular weight of 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol?
The molecular weight of 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol is 310.09 g/mol.
Where can I buy 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol?
You can request a quote for 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[[[3-[(Phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.