![2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole structure](/static/products/3156/315695-68-2.webp)
2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole
TL;DR: 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole (CAS 315695-68-2) is a chemical compound with molecular formula C19H14N4S3 and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole
Also Known As: 2-[(4-phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole, 2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole, 2-(((4-phenyl-5-(prop-2-yn-1-ylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)benzo[d]thiazole
| Molecular Formula | C19H14N4S3 |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 4.8946 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.03806 |
| Heavy Atoms | 26 |
| Complexity | 1030.2802 |
Chemical Identifiers
| CAS Number | 315695-68-2 |
|---|---|
| SMILES | C#CCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole (CAS 315695-68-2), with molecular formula C19H14N4S3 and molecular weight 394.04 g/mol. IUPAC: 2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole
Property Insights of 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole
The XLogP value of 4.8946 indicates that 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole has 0 hydrogen bond donor(s) and 6 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 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole?
The CAS number of 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole is 315695-68-2.
What is the molecular formula of 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole?
The molecular formula of 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole is C19H14N4S3.
What is the molecular weight of 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole?
The molecular weight of 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole is 394.04 g/mol.
Where can I buy 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole?
You can request a quote for 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.