![5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/5164/516455-43-9.webp)
5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 516455-43-9) is a chemical compound with molecular formula C23H18N4OS2 and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol, 5-(4-methoxyphenyl)-4-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-4H-1,2,4-triazole-3-thiol, 5-(4-methoxyphenyl)-4-[4-(6-methylbenzothiazol-2-yl)phenyl]-1,2,4-triazole-3-t hiol, 5-(4-methoxyphenyl)-4-[4-(6-methylbenzothiazol-2-yl)phenyl]-2H-1,2,4-triazole-3-thione, 3-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C23H18N4OS2 |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 6.19061 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.0922 |
| Heavy Atoms | 30 |
| Complexity | 1396.2062 |
Chemical Identifiers
| CAS Number | 516455-43-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=NNC4=S)C5=CC=C(C=C5)OC |
Product Overview
5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 516455-43-9), with molecular formula C23H18N4OS2 and molecular weight 430.09 g/mol. IUPAC: 3-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 6.19061 indicates that 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-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 55.73 Ų, 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol is 516455-43-9.
What is the molecular formula of 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol is C23H18N4OS2.
What is the molecular weight of 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol is 430.09 g/mol.
Where can I buy 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-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 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methoxyphenyl)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.