![Benzothiazole, 2-[(2-pyridinylmethyl)thio]- structure](/static/products/837/83782-82-5.png)
Benzothiazole, 2-[(2-pyridinylmethyl)thio]-
TL;DR: Benzothiazole, 2-[(2-pyridinylmethyl)thio]- (CAS 83782-82-5) is a chemical compound with molecular formula C13H10N2S2 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazole
Also Known As: Benzothiazole, 2-[(2-pyridinylmethyl)thio]-, 2-(2-pyridylmethylthio)benzothiazole, 2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazole, BAS 00829424, BIM-0043278.P001
| Molecular Formula | C13H10N2S2 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.02853 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 83782-82-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC3=CC=CC=N3 |
| InChIKey | XICJEXBRMRRJTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole, 2-[(2-pyridinylmethyl)thio]- (CAS 83782-82-5), with molecular formula C13H10N2S2 and molecular weight 258.03 g/mol. IUPAC: 2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-[(2-pyridinylmethyl)thio]-
Property Insights of Benzothiazole, 2-[(2-pyridinylmethyl)thio]-
The XLogP value of 3.6 indicates that Benzothiazole, 2-[(2-pyridinylmethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-[(2-pyridinylmethyl)thio]-. Following Lipinski's Rule of Five, Benzothiazole, 2-[(2-pyridinylmethyl)thio]- 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 Benzothiazole, 2-[(2-pyridinylmethyl)thio]-?
The CAS number of Benzothiazole, 2-[(2-pyridinylmethyl)thio]- is 83782-82-5.
What is the molecular formula of Benzothiazole, 2-[(2-pyridinylmethyl)thio]-?
The molecular formula of Benzothiazole, 2-[(2-pyridinylmethyl)thio]- is C13H10N2S2.
What is the molecular weight of Benzothiazole, 2-[(2-pyridinylmethyl)thio]-?
The molecular weight of Benzothiazole, 2-[(2-pyridinylmethyl)thio]- is 258.03 g/mol.
Where can I buy Benzothiazole, 2-[(2-pyridinylmethyl)thio]-?
You can request a quote for Benzothiazole, 2-[(2-pyridinylmethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[(2-pyridinylmethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[(2-pyridinylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.