2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole
TL;DR: 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole (CAS 442872-73-3) is a chemical compound with molecular formula C13H16N2O2S3 and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-6-piperidin-1-ylsulfonyl-1,3-benzothiazole
Also Known As: BAS 04850667, 2-methylthio-6-(piperidylsulfonyl)benzothiazole, 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole, 2-methylsulfanyl-6-piperidin-1-ylsulfonyl-1,3-benzothiazole, AO-080/41280525
| Molecular Formula | C13H16N2O2S3 |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.03738 |
| Heavy Atoms | 20 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 442872-73-3 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCCC3 |
| InChIKey | LRABBIWWEGNNDL-UHFFFAOYSA-N |
Product Overview
2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole (CAS 442872-73-3), with molecular formula C13H16N2O2S3 and molecular weight 328.04 g/mol. IUPAC: 2-methylsulfanyl-6-piperidin-1-ylsulfonyl-1,3-benzothiazole.
Chemical Property Profile of 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole
Property Insights of 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole
The XLogP value of 3.2 indicates that 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole. Following Lipinski's Rule of Five, 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-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-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole?
The CAS number of 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole is 442872-73-3.
What is the molecular formula of 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole?
The molecular formula of 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole is C13H16N2O2S3.
What is the molecular weight of 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole?
The molecular weight of 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole is 328.04 g/mol.
Where can I buy 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole?
You can request a quote for 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.