2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile
TL;DR: 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile (CAS 146724-14-3) is a chemical compound with molecular formula C13H7N3S2 and molecular weight 269.00815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzothiazol-2-ylsulfanyl)pyridine-3-carbonitrile
Also Known As: 2-(1,3-benzothiazol-2-ylthio)nicotinonitrile, 2-(1,3-benzothiazol-2-ylsulfanyl)pyridine-3-carbonitrile, 2-(benzo[d]thiazol-2-ylthio)nicotinonitrile, 4471AD, AB01000693-01
Technical Specifications
| Molecular Formula | C13H7N3S2 |
| Molecular Weight | 269.00815 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.00815 Da |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC=N3)C#N |
| InChIKey | OVSVLYYYOWAQTE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile
Property Insights of 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile
The XLogP value of 3.8 indicates that 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile?
The CAS number of 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile is 146724-14-3.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile is C13H7N3S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile is 269.00815 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylthio)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.