5-Phenyl-1,2,4-triazine-3(2H)-thione
TL;DR: 5-Phenyl-1,2,4-triazine-3(2H)-thione (CAS 77192-52-0) is a chemical compound with molecular formula C9H7N3S and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-2H-1,2,4-triazine-3-thione
Also Known As: 5-phenyl-1,2,4-triazine-3-thiol, 5-Phenyl-as-triazine-3-thiol, as-Triazine-3-thiol, 5-phenyl-, 5-phenyl-2H-1,2,4-triazine-3-thione, 5-phenyl-1,2,4-triazine-3(2H)-thione
| Molecular Formula | C9H7N3S |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 2.20119 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.03607 |
| Heavy Atoms | 13 |
| Complexity | 449.67194 |
Chemical Identifiers
| CAS Number | 77192-52-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=S)NN=C2 |
Product Overview
5-Phenyl-1,2,4-triazine-3(2H)-thione (CAS 77192-52-0), with molecular formula C9H7N3S and molecular weight 189.04 g/mol. IUPAC: 5-phenyl-2H-1,2,4-triazine-3-thione.
Chemical Property Profile of 5-Phenyl-1,2,4-triazine-3(2H)-thione
Property Insights of 5-Phenyl-1,2,4-triazine-3(2H)-thione
The XLogP value of 2.20119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1,2,4-triazine-3(2H)-thione. With a topological polar surface area (TPSA) of 41.57 Ų, 5-Phenyl-1,2,4-triazine-3(2H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1,2,4-triazine-3(2H)-thione has 1 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-Phenyl-1,2,4-triazine-3(2H)-thione?
The CAS number of 5-Phenyl-1,2,4-triazine-3(2H)-thione is 77192-52-0.
What is the molecular formula of 5-Phenyl-1,2,4-triazine-3(2H)-thione?
The molecular formula of 5-Phenyl-1,2,4-triazine-3(2H)-thione is C9H7N3S.
What is the molecular weight of 5-Phenyl-1,2,4-triazine-3(2H)-thione?
The molecular weight of 5-Phenyl-1,2,4-triazine-3(2H)-thione is 189.04 g/mol.
Where can I buy 5-Phenyl-1,2,4-triazine-3(2H)-thione?
You can request a quote for 5-Phenyl-1,2,4-triazine-3(2H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-1,2,4-triazine-3(2H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1,2,4-triazine-3(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.