2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole
TL;DR: 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole (CAS 73768-77-1) is a chemical compound with molecular formula C12H7N3O2S2 and molecular weight 289.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitro-2-pyridinyl)sulfanyl]-1,3-benzothiazole
Also Known As: 2-(3-nitropyridin-2-yl)sulfanyl-1,3-benzothiazole, 2-({3-nitro-2-pyridinyl}sulfanyl)-1,3-benzothiazole, 2-[(3-Nitro-2-pyridinyl)thio]benzothiazole, AI-204/31702052, 2-[(3-NITROPYRIDIN-2-YL)SULFANYL]-1,3-BENZOTHIAZOLE
| Molecular Formula | C12H7N3O2S2 |
|---|---|
| Molecular Weight | 289.00 g/mol |
| LogP | 3.7507 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.99796 |
| Heavy Atoms | 19 |
| Complexity | 724.3241 |
Chemical Identifiers
| CAS Number | 73768-77-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC=N3)[N+](=O)[O-] |
Product Overview
2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole (CAS 73768-77-1), with molecular formula C12H7N3O2S2 and molecular weight 289.00 g/mol. IUPAC: 2-[(3-nitro-2-pyridinyl)sulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole
Property Insights of 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole
The XLogP value of 3.7507 indicates that 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-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-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole?
The CAS number of 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole is 73768-77-1.
What is the molecular formula of 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole?
The molecular formula of 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole is C12H7N3O2S2.
What is the molecular weight of 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole?
The molecular weight of 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole is 289.00 g/mol.
Where can I buy 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole?
You can request a quote for 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitropyridin-2-yl)sulfanyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.