2-(Benzylsulfanyl)-1,3-benzothiazole
TL;DR: 2-(Benzylsulfanyl)-1,3-benzothiazole (CAS 19654-17-2) is a chemical compound with molecular formula C14H11NS2 and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-1,3-benzothiazole
Also Known As: 2-(benzylthio)benzo[d]thiazole, 2-Benzylsulfanyl-benzothiazole, 2-(benzylsulfanyl)-1,3-benzothiazole, 2-benzylthiobenzothiazole, 2-(Benzylthio)benzothiazole
| Molecular Formula | C14H11NS2 |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.0333 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 19654-17-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2 |
| InChIKey | JFRIJTKSNFXTIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylsulfanyl)-1,3-benzothiazole (CAS 19654-17-2), with molecular formula C14H11NS2 and molecular weight 257.03 g/mol. IUPAC: 2-benzylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-(Benzylsulfanyl)-1,3-benzothiazole
Property Insights of 2-(Benzylsulfanyl)-1,3-benzothiazole
The XLogP value of 4.6 indicates that 2-(Benzylsulfanyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 3 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-(Benzylsulfanyl)-1,3-benzothiazole?
The CAS number of 2-(Benzylsulfanyl)-1,3-benzothiazole is 19654-17-2.
What is the molecular formula of 2-(Benzylsulfanyl)-1,3-benzothiazole?
The molecular formula of 2-(Benzylsulfanyl)-1,3-benzothiazole is C14H11NS2.
What is the molecular weight of 2-(Benzylsulfanyl)-1,3-benzothiazole?
The molecular weight of 2-(Benzylsulfanyl)-1,3-benzothiazole is 257.03 g/mol.
Where can I buy 2-(Benzylsulfanyl)-1,3-benzothiazole?
You can request a quote for 2-(Benzylsulfanyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.