5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione
TL;DR: 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione (CAS 528832-40-8) is a chemical compound with molecular formula C9H12N4S and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione
Also Known As: Maybridge1_005452, 5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione, 5-(3-pyridinylmethyl)-1,3,5-triazinane-2-thione, 5-(3-pyridylmethyl)-1,3,5-triazinane-2-thione, 5-Pyridin-3-ylmethyl-[1,3,5]triazinane-2-thione
| Molecular Formula | C9H12N4S |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07826 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 528832-40-8 |
|---|---|
| SMILES | C1NC(=S)NCN1CC2=CN=CC=C2 |
| InChIKey | ZVEWRJVFPKRKHG-UHFFFAOYSA-N |
Product Overview
5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione (CAS 528832-40-8), with molecular formula C9H12N4S and molecular weight 208.08 g/mol. IUPAC: 5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione
Property Insights of 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione. Following Lipinski's Rule of Five, 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione has 2 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 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione?
The CAS number of 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione is 528832-40-8.
What is the molecular formula of 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione is C9H12N4S.
What is the molecular weight of 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione is 208.08 g/mol.
Where can I buy 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Pyridinylmethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.