Pyridine, 2-chloro-5-thiocyanato-
TL;DR: Pyridine, 2-chloro-5-thiocyanato- (CAS 41288-93-1) is a chemical compound with molecular formula C6H3ClN2S and molecular weight 169.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3-pyridinyl) thiocyanate
Also Known As: 2-chloro-5-thiocyanato-pyridine, 6-Chloro-3-pyridinyl thiocyanate, Pyridine, 2-chloro-5-thiocyanato-, (6-chloropyridin-3-yl) thiocyanate, 6-Chloro-3-pyridinyl thiocyanate #
| Molecular Formula | C6H3ClN2S |
|---|---|
| Molecular Weight | 169.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.97055 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 41288-93-1 |
|---|---|
| SMILES | C1=CC(=NC=C1SC#N)Cl |
| InChIKey | HGSISBWGMYWGJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine, 2-chloro-5-thiocyanato- (CAS 41288-93-1), with molecular formula C6H3ClN2S and molecular weight 169.97 g/mol. IUPAC: (6-chloro-3-pyridinyl) thiocyanate.
Chemical Property Profile of Pyridine, 2-chloro-5-thiocyanato-
Property Insights of Pyridine, 2-chloro-5-thiocyanato-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 2-chloro-5-thiocyanato-. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 2-chloro-5-thiocyanato-. Following Lipinski's Rule of Five, Pyridine, 2-chloro-5-thiocyanato- 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 Pyridine, 2-chloro-5-thiocyanato-?
The CAS number of Pyridine, 2-chloro-5-thiocyanato- is 41288-93-1.
What is the molecular formula of Pyridine, 2-chloro-5-thiocyanato-?
The molecular formula of Pyridine, 2-chloro-5-thiocyanato- is C6H3ClN2S.
What is the molecular weight of Pyridine, 2-chloro-5-thiocyanato-?
The molecular weight of Pyridine, 2-chloro-5-thiocyanato- is 169.97 g/mol.
Where can I buy Pyridine, 2-chloro-5-thiocyanato-?
You can request a quote for Pyridine, 2-chloro-5-thiocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 2-chloro-5-thiocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 2-chloro-5-thiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.