bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 335396-34-4) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, BAS 02255205, UPCMLD0ENAT0519-5322:001, 3,4-bis(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.61409 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 819.8473 |
Chemical Identifiers
| CAS Number | 335396-34-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)OC |
Product Overview
bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 335396-34-4), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 3,4-bis(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.61409 indicates that bis(4-methoxyphenyl)-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 52.07 Ų, bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 335396-34-4.
What is the molecular formula of bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is C16H15N3O2S.
What is the molecular weight of bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 313.09 g/mol.
Where can I buy bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for bis(4-methoxyphenyl)-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 bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for bis(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.