2-(Methylthio)benzothiazole
TL;DR: 2-(Methylthio)benzothiazole (CAS 615-22-5) is a chemical compound with molecular formula C8H7NS2 and molecular weight 181.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1,3-benzothiazole
Also Known As: 2-(Methylthio)benzothiazole, 2-Methylmercaptobenzothiazole, 2-(Methylthio)benzo[d]thiazole, Methylcaptax, Methylcaptax.
| Molecular Formula | C8H7NS2 |
|---|---|
| Molecular Weight | 181.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.002 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
| Vapor Pressure | 0.00026 [mmHg] |
Chemical Identifiers
| CAS Number | 615-22-5 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2S1 |
| InChIKey | UTBVIMLZIRIFFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylthio)benzothiazole (CAS 615-22-5), with molecular formula C8H7NS2 and molecular weight 181.00 g/mol. IUPAC: 2-methylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-(Methylthio)benzothiazole
Property Insights of 2-(Methylthio)benzothiazole
The XLogP value of 3.1 indicates that 2-(Methylthio)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-(Methylthio)benzothiazole. Following Lipinski's Rule of Five, 2-(Methylthio)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-(Methylthio)benzothiazole?
The CAS number of 2-(Methylthio)benzothiazole is 615-22-5.
What is the molecular formula of 2-(Methylthio)benzothiazole?
The molecular formula of 2-(Methylthio)benzothiazole is C8H7NS2.
What is the molecular weight of 2-(Methylthio)benzothiazole?
The molecular weight of 2-(Methylthio)benzothiazole is 181.00 g/mol.
Where can I buy 2-(Methylthio)benzothiazole?
You can request a quote for 2-(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-(Methylthio)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.