![3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one structure](/static/products/3907/390748-36-4.webp)
3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one
TL;DR: 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one (CAS 390748-36-4) is a chemical compound with molecular formula C18H16N4OS2 and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: J1.668.989K, F1923-0038, 3-{[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one, 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one, 3-((5-mercapto-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
| Molecular Formula | C18H16N4OS2 |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 3.60809 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.07657 |
| Heavy Atoms | 25 |
| Complexity | 1121.1473 |
Chemical Identifiers
| CAS Number | 390748-36-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=NNC2=S)CN3C4=CC=CC=C4SC3=O |
Product Overview
3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one (CAS 390748-36-4), with molecular formula C18H16N4OS2 and molecular weight 368.08 g/mol. IUPAC: 3-[[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one
Property Insights of 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one
The XLogP value of 3.60809 indicates that 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one 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 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one?
The CAS number of 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one is 390748-36-4.
What is the molecular formula of 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one?
The molecular formula of 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one is C18H16N4OS2.
What is the molecular weight of 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one?
The molecular weight of 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one is 368.08 g/mol.
Where can I buy 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one?
You can request a quote for 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.