![2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole structure](/static/products/6945/694515-38-3.webp)
2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole
TL;DR: 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole (CAS 694515-38-3) is a chemical compound with molecular formula C15H11N5S2 and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole
Also Known As: 2-[(1-phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole, 2-(((1-phenyl-1H-tetrazol-5-yl)methyl)thio)benzo[d]thiazole, 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole, 2-{[(1-phenyl-1H-tetrazol-5-yl)methyl]sulfanyl}-1,3-benzothiazole, 2-{[(1-PHENYL-1H-1,2,3,4-TETRAZOL-5-YL)METHYL]SULFANYL}-1,3-BENZOTHIAZOLE
| Molecular Formula | C15H11N5S2 |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 3.5643 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0456 |
| Heavy Atoms | 22 |
| Complexity | 867.35504 |
Chemical Identifiers
| CAS Number | 694515-38-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole (CAS 694515-38-3), with molecular formula C15H11N5S2 and molecular weight 325.05 g/mol. IUPAC: 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole
Property Insights of 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole
The XLogP value of 3.5643 indicates that 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1-Phenyl-1,2,3,4-tetraazol-5-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-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole?
The CAS number of 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole is 694515-38-3.
What is the molecular formula of 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole?
The molecular formula of 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole is C15H11N5S2.
What is the molecular weight of 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole?
The molecular weight of 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole is 325.05 g/mol.
Where can I buy 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole?
You can request a quote for 2-[(1-Phenyl-1,2,3,4-tetraazol-5-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-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Phenyl-1,2,3,4-tetraazol-5-yl)methylthio]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.