2-(Piperidinothio)benzothiazole
TL;DR: 2-(Piperidinothio)benzothiazole (CAS 26773-65-9) is a chemical compound with molecular formula C12H14N2S2 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylsulfanyl-1,3-benzothiazole
Also Known As: 2-(Piperidinothio)benzothiazole, 2- benzothiazole, Benzothiazole, 2-(1-piperidinylthio)-, 2-piperidylthiobenzothiazole, BENZOTHIAZOLE, 2-(PIPERIDINOTHIO)-
| Molecular Formula | C12H14N2S2 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.05984 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 26773-65-9 |
|---|---|
| SMILES | C1CCN(CC1)SC2=NC3=CC=CC=C3S2 |
| InChIKey | CAHGZULPDQXGMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Piperidinothio)benzothiazole (CAS 26773-65-9), with molecular formula C12H14N2S2 and molecular weight 250.06 g/mol. IUPAC: 2-piperidin-1-ylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-(Piperidinothio)benzothiazole
Property Insights of 2-(Piperidinothio)benzothiazole
The XLogP value of 3.9 indicates that 2-(Piperidinothio)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Piperidinothio)benzothiazole. Following Lipinski's Rule of Five, 2-(Piperidinothio)benzothiazole has 0 hydrogen bond donor(s) and 4 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-(Piperidinothio)benzothiazole?
The CAS number of 2-(Piperidinothio)benzothiazole is 26773-65-9.
What is the molecular formula of 2-(Piperidinothio)benzothiazole?
The molecular formula of 2-(Piperidinothio)benzothiazole is C12H14N2S2.
What is the molecular weight of 2-(Piperidinothio)benzothiazole?
The molecular weight of 2-(Piperidinothio)benzothiazole is 250.06 g/mol.
Where can I buy 2-(Piperidinothio)benzothiazole?
You can request a quote for 2-(Piperidinothio)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Piperidinothio)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Piperidinothio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.