2-Phenylbenzothiazole
TL;DR: 2-Phenylbenzothiazole (CAS 883-93-2) is a chemical compound with molecular formula C13H9NS and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,3-benzothiazole
Also Known As: 2-Phenylbenzothiazole, 2-Phenylbenzo[d]thiazole, 2-Phenyl-1,3-benzothiazole, 2-phenylbenzthiazole, BENZOTHIAZOLE, 2-PHENYL-
| Molecular Formula | C13H9NS |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.04558 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
| Vapor Pressure | 0.00000484 [mmHg] |
Chemical Identifiers
| CAS Number | 883-93-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2 |
| InChIKey | XBHOUXSGHYZCNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylbenzothiazole (CAS 883-93-2), with molecular formula C13H9NS and molecular weight 211.05 g/mol. IUPAC: 2-phenyl-1,3-benzothiazole.
Chemical Property Profile of 2-Phenylbenzothiazole
Property Insights of 2-Phenylbenzothiazole
The XLogP value of 4.3 indicates that 2-Phenylbenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Phenylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylbenzothiazole has 0 hydrogen bond donor(s) and 2 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-Phenylbenzothiazole?
The CAS number of 2-Phenylbenzothiazole is 883-93-2.
What is the molecular formula of 2-Phenylbenzothiazole?
The molecular formula of 2-Phenylbenzothiazole is C13H9NS.
What is the molecular weight of 2-Phenylbenzothiazole?
The molecular weight of 2-Phenylbenzothiazole is 211.05 g/mol.
Where can I buy 2-Phenylbenzothiazole?
You can request a quote for 2-Phenylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.