2-(Phenylthio)benzothiazole
TL;DR: 2-(Phenylthio)benzothiazole (CAS 4276-60-2) is a chemical compound with molecular formula C13H9NS2 and molecular weight 243.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanyl-1,3-benzothiazole
Also Known As: 2-(Phenylthio)benzothiazole, 2-Phenylthiobenzothiazole, 2-phenylsulfanylbenzothiazole, 2-(Phenylthio)benzo[d]thiazole, 2-phenylsulfanyl-1,3-benzothiazole
| Molecular Formula | C13H9NS2 |
|---|---|
| Molecular Weight | 243.02 g/mol |
| LogP | 4.4475 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.01764 |
| Heavy Atoms | 16 |
| Complexity | 568.41077 |
Chemical Identifiers
| CAS Number | 4276-60-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=NC3=CC=CC=C3S2 |
Product Overview
2-(Phenylthio)benzothiazole (CAS 4276-60-2), with molecular formula C13H9NS2 and molecular weight 243.02 g/mol. IUPAC: 2-phenylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-(Phenylthio)benzothiazole
Property Insights of 2-(Phenylthio)benzothiazole
The XLogP value of 4.4475 indicates that 2-(Phenylthio)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-(Phenylthio)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylthio)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-(Phenylthio)benzothiazole?
The CAS number of 2-(Phenylthio)benzothiazole is 4276-60-2.
What is the molecular formula of 2-(Phenylthio)benzothiazole?
The molecular formula of 2-(Phenylthio)benzothiazole is C13H9NS2.
What is the molecular weight of 2-(Phenylthio)benzothiazole?
The molecular weight of 2-(Phenylthio)benzothiazole is 243.02 g/mol.
Where can I buy 2-(Phenylthio)benzothiazole?
You can request a quote for 2-(Phenylthio)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylthio)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylthio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.