Thiocyanic acid, 3-pyridinyl ester
TL;DR: Thiocyanic acid, 3-pyridinyl ester (CAS 2645-25-2) 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.
pyridin-3-yl thiocyanate
Also Known As: 3-Thiocyanatopyridine, 3-cyanothiopyridine, pyridin-3-yl thiocyanate, 3-Pyridinyl thiocyanate, Thiocyanic acid, 3-pyridinyl ester
| Molecular Formula | C6H4N2S |
|---|---|
| Molecular Weight | 136.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.00952 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 2645-25-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)SC#N |
| InChIKey | OYKDNXIKMAQMJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocyanic acid, 3-pyridinyl ester (CAS 2645-25-2), with molecular formula C6H4N2S and molecular weight 136.01 g/mol. IUPAC: pyridin-3-yl thiocyanate.
Chemical Property Profile of Thiocyanic acid, 3-pyridinyl ester
Property Insights of Thiocyanic acid, 3-pyridinyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 3-pyridinyl ester. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 3-pyridinyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 3-pyridinyl ester 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 Thiocyanic acid, 3-pyridinyl ester?
The CAS number of Thiocyanic acid, 3-pyridinyl ester is 2645-25-2.
What is the molecular formula of Thiocyanic acid, 3-pyridinyl ester?
The molecular formula of Thiocyanic acid, 3-pyridinyl ester is C6H4N2S.
What is the molecular weight of Thiocyanic acid, 3-pyridinyl ester?
The molecular weight of Thiocyanic acid, 3-pyridinyl ester is 136.01 g/mol.
Where can I buy Thiocyanic acid, 3-pyridinyl ester?
You can request a quote for Thiocyanic acid, 3-pyridinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 3-pyridinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 3-pyridinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.