![3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione structure](/static/products/7441/74414-86-1.webp)
3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione
TL;DR: 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione (CAS 74414-86-1) is a chemical compound with molecular formula C5H3N5O2S and molecular weight 197.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-2,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8-dione
Also Known As: 3-sulfanylidene-2,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8-dione, 3-sulfanylidene-2,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,, 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione, 3,4,5,6,7,8-Hexahydropyrimido<4,5-e>1,2,4-triazine-6,8-dione-3-thione, 3,4,5,6,7,8-hexahydro-6,8-dioxopyrimido[4,5-e][1,2,4]-triazine-3-thione
| Molecular Formula | C5H3N5O2S |
|---|---|
| Molecular Weight | 197.00 g/mol |
| LogP | -0.93601 |
| Topological Polar Surface Area | 107.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.00075 |
| Heavy Atoms | 13 |
| Complexity | 617.5878 |
Chemical Identifiers
| CAS Number | 74414-86-1 |
|---|---|
| SMILES | C12=NNC(=S)N=C1NC(=O)NC2=O |
Product Overview
3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione (CAS 74414-86-1), with molecular formula C5H3N5O2S and molecular weight 197.00 g/mol. IUPAC: 3-sulfanylidene-2,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione
Property Insights of 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione
The XLogP value of -0.93601 indicates that 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione. Following Lipinski's Rule of Five, 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione has 3 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 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione?
The CAS number of 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione is 74414-86-1.
What is the molecular formula of 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione?
The molecular formula of 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione is C5H3N5O2S.
What is the molecular weight of 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione?
The molecular weight of 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione is 197.00 g/mol.
Where can I buy 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione?
You can request a quote for 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Sulfanylidene-3,5-dihydropyrimido[4,5-e][1,2,4]triazine-6,8(2H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.