2-Isothiocyanatopyridine
TL;DR: 2-Isothiocyanatopyridine (CAS 52648-45-0) is a chemical compound with molecular formula C6H4N2S and molecular weight 136.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isothiocyanatopyridine
Also Known As: 2-isothiocyanatopyridine, 2-Pyridyl isothiocyanate, 2-pyridylisothiocyanate, pyridyl isothiocya-nate, 2-isothiocyanato-pyridine
| Molecular Formula | C6H4N2S |
|---|---|
| Molecular Weight | 136.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.00952 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 52648-45-0 |
|---|---|
| SMILES | C1=CC=NC(=C1)N=C=S |
| InChIKey | WFJPRCMYUOOTNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isothiocyanatopyridine (CAS 52648-45-0), with molecular formula C6H4N2S and molecular weight 136.01 g/mol. IUPAC: 2-isothiocyanatopyridine.
Chemical Property Profile of 2-Isothiocyanatopyridine
Property Insights of 2-Isothiocyanatopyridine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isothiocyanatopyridine. With a topological polar surface area (TPSA) of 57.3 Ų, 2-Isothiocyanatopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isothiocyanatopyridine has 0 hydrogen bond donor(s) and 3 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-Isothiocyanatopyridine?
The CAS number of 2-Isothiocyanatopyridine is 52648-45-0.
What is the molecular formula of 2-Isothiocyanatopyridine?
The molecular formula of 2-Isothiocyanatopyridine is C6H4N2S.
What is the molecular weight of 2-Isothiocyanatopyridine?
The molecular weight of 2-Isothiocyanatopyridine is 136.01 g/mol.
Where can I buy 2-Isothiocyanatopyridine?
You can request a quote for 2-Isothiocyanatopyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isothiocyanatopyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Isothiocyanatopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.