![3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one structure](/static/products/847/847402-70-4.png)
3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
TL;DR: 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one (CAS 847402-70-4) is a chemical compound with molecular formula C20H20N4OS2 and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one, 3-((5-(isopropylthio)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[[4-(2-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C20H20N4OS2 |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.50092 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.10785 |
| Heavy Atoms | 27 |
| Complexity | 1156.2158 |
Chemical Identifiers
| CAS Number | 847402-70-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SC(C)C)CN3C4=CC=CC=C4SC3=O |
Product Overview
3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one (CAS 847402-70-4), with molecular formula C20H20N4OS2 and molecular weight 396.11 g/mol. IUPAC: 3-[[4-(2-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
Property Insights of 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
The XLogP value of 4.50092 indicates that 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one has 0 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 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
The CAS number of 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one is 847402-70-4.
What is the molecular formula of 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular formula of 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one is C20H20N4OS2.
What is the molecular weight of 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular weight of 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one is 396.11 g/mol.
Where can I buy 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
You can request a quote for 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(2-methylphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.