![4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/3069/306936-82-3.webp)
4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol (CAS 306936-82-3) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol, Maybridge1_008651, 9712AD, 4-(4-(Benzyloxy)phenyl)-5-methyl-4H-1,2,4-triazole-3-thiol, DI-N-BUTYLAMMONIUMTETRAFLUOROBORATE
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.81731 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 775.2867 |
Chemical Identifiers
| CAS Number | 306936-82-3 |
|---|---|
| SMILES | CC1=NNC(=S)N1C2=CC=C(C=C2)OCC3=CC=CC=C3 |
Product Overview
4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol (CAS 306936-82-3), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.81731 indicates that 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol is 306936-82-3.
What is the molecular formula of 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol is C16H15N3OS.
What is the molecular weight of 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol is 297.09 g/mol.
Where can I buy 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[4-(Benzyloxy)phenyl]-5-methyl-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-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.