2-Isothiocyanatopyridine,dimer
TL;DR: 2-Isothiocyanatopyridine,dimer (CAS 54159-18-1) is a chemical compound with molecular formula C12H8N4S2 and molecular weight 272.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dithione
Also Known As: 2-ISOTHIOCYANATOPYRIDINE,DIMER, 2-Isothiocyanatopyridine, dimer, 3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dithione, J2.021.249G, I09-3239
| Molecular Formula | C12H8N4S2 |
|---|---|
| Molecular Weight | 272.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.01904 |
| Heavy Atoms | 18 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 54159-18-1 |
|---|---|
| SMILES | C1=CC=NC(=C1)N2C(=S)N=C3C=CC=CN3C2=S |
| InChIKey | UJOKWUUEVJNBCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isothiocyanatopyridine,dimer (CAS 54159-18-1), with molecular formula C12H8N4S2 and molecular weight 272.02 g/mol. IUPAC: 3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dithione.
Chemical Property Profile of 2-Isothiocyanatopyridine,dimer
Property Insights of 2-Isothiocyanatopyridine,dimer
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isothiocyanatopyridine,dimer. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isothiocyanatopyridine,dimer. Following Lipinski's Rule of Five, 2-Isothiocyanatopyridine,dimer 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,dimer?
The CAS number of 2-Isothiocyanatopyridine,dimer is 54159-18-1.
What is the molecular formula of 2-Isothiocyanatopyridine,dimer?
The molecular formula of 2-Isothiocyanatopyridine,dimer is C12H8N4S2.
What is the molecular weight of 2-Isothiocyanatopyridine,dimer?
The molecular weight of 2-Isothiocyanatopyridine,dimer is 272.02 g/mol.
Where can I buy 2-Isothiocyanatopyridine,dimer?
You can request a quote for 2-Isothiocyanatopyridine,dimer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isothiocyanatopyridine,dimer?
Yes, KEHONG BIO provides custom synthesis services for 2-Isothiocyanatopyridine,dimer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.