6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one
TL;DR: 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one (CAS 27623-07-0) is a chemical compound with molecular formula C7H5N3OS2 and molecular weight 210.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-6-thiophen-2-yl-2H-1,2,4-triazin-5-one
Also Known As: BAS 01393419, SDCCGSBI-0660935.P001, F3095-3139, AE-641/13516173, 3-sulfanylidene-6-thiophen-2-yl-2H-1,2,4-triazin-5-one
| Molecular Formula | C7H5N3OS2 |
|---|---|
| Molecular Weight | 210.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.98741 |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 27623-07-0 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NNC(=S)NC2=O |
| InChIKey | YDOAVONEZJKTNW-UHFFFAOYSA-N |
Product Overview
6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one (CAS 27623-07-0), with molecular formula C7H5N3OS2 and molecular weight 210.99 g/mol. IUPAC: 3-sulfanylidene-6-thiophen-2-yl-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one
Property Insights of 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one has 2 hydrogen bond donor(s) and 4 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 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one?
The CAS number of 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one is 27623-07-0.
What is the molecular formula of 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one?
The molecular formula of 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one is C7H5N3OS2.
What is the molecular weight of 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one?
The molecular weight of 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one is 210.99 g/mol.
Where can I buy 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one?
You can request a quote for 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-thienyl)-3-thioxo-2H,4H-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.