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Pyrimido[5,4-E]-as-triazine-5(6H)-thione
TL;DR: Pyrimido[5,4-E]-as-triazine-5(6H)-thione (CAS 21308-96-3) is a chemical compound with molecular formula C5H3N5S and molecular weight 165.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8H-pyrimido[5,4-e][1,2,4]triazine-5-thione
Also Known As: Pyrimido[5,4-E]-as-triazine-5(6H)-thione, pyrimido[5,4-e][1,2,4]triazine-5(8H)-thione, 8H-pyrimido[5,4-e][1,2,4]triazine-5-thione
| Molecular Formula | C5H3N5S |
|---|---|
| Molecular Weight | 165.01 g/mol |
| LogP | 0.47739 |
| Topological Polar Surface Area | 67.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.01091 |
| Heavy Atoms | 11 |
| Complexity | 430.57086 |
Chemical Identifiers
| CAS Number | 21308-96-3 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N=NC=N2 |
Product Overview
Pyrimido[5,4-E]-as-triazine-5(6H)-thione (CAS 21308-96-3), with molecular formula C5H3N5S and molecular weight 165.01 g/mol. IUPAC: 8H-pyrimido[5,4-e][1,2,4]triazine-5-thione.
Chemical Property Profile of Pyrimido[5,4-E]-as-triazine-5(6H)-thione
Property Insights of Pyrimido[5,4-E]-as-triazine-5(6H)-thione
The XLogP value of 0.47739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido[5,4-E]-as-triazine-5(6H)-thione. The TPSA of 67.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido[5,4-E]-as-triazine-5(6H)-thione. Following Lipinski's Rule of Five, Pyrimido[5,4-E]-as-triazine-5(6H)-thione has 1 hydrogen bond donor(s) and 5 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 Pyrimido[5,4-E]-as-triazine-5(6H)-thione?
The CAS number of Pyrimido[5,4-E]-as-triazine-5(6H)-thione is 21308-96-3.
What is the molecular formula of Pyrimido[5,4-E]-as-triazine-5(6H)-thione?
The molecular formula of Pyrimido[5,4-E]-as-triazine-5(6H)-thione is C5H3N5S.
What is the molecular weight of Pyrimido[5,4-E]-as-triazine-5(6H)-thione?
The molecular weight of Pyrimido[5,4-E]-as-triazine-5(6H)-thione is 165.01 g/mol.
Where can I buy Pyrimido[5,4-E]-as-triazine-5(6H)-thione?
You can request a quote for Pyrimido[5,4-E]-as-triazine-5(6H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido[5,4-E]-as-triazine-5(6H)-thione?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido[5,4-E]-as-triazine-5(6H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.