3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one
TL;DR: 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one (CAS 626-08-4) is a chemical compound with molecular formula C3H3N3OS and molecular weight 129.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 6-Aza-2-thiouracil, 3-Thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, 2-Thio-6-azauracil, 6-AZA-2thiouracil, 3-sulfanyl-1,2,4-triazin-5-ol
| Molecular Formula | C3H3N3OS |
|---|---|
| Molecular Weight | 129.00 g/mol |
| LogP | -0.17251 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.99968 |
| Heavy Atoms | 8 |
| Complexity | 248.85217 |
Chemical Identifiers
| CAS Number | 626-08-4 |
|---|---|
| SMILES | C1=NNC(=S)NC1=O |
Product Overview
3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one (CAS 626-08-4), with molecular formula C3H3N3OS and molecular weight 129.00 g/mol. IUPAC: 3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one
Property Insights of 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one
The XLogP value of -0.17251 indicates that 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one. Following Lipinski's Rule of Five, 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one 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 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one?
The CAS number of 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one is 626-08-4.
What is the molecular formula of 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one?
The molecular formula of 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one is C3H3N3OS.
What is the molecular weight of 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one?
The molecular weight of 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one is 129.00 g/mol.
Where can I buy 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one?
You can request a quote for 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.