S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate
TL;DR: S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate (CAS 307505-75-5) is a chemical compound with molecular formula C9H6N4O3S and molecular weight 250.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) pyridine-3-carbothioate
Also Known As: S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) pyridine-3-carbothioate, 6-(3-pyridylcarbonylthio)-2H,4H-1,2,4-triazine-3,5-dione, S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate, S-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) pyridine-3-carbothioate, S-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) 3-pyridinecarbothioate
| Molecular Formula | C9H6N4O3S |
|---|---|
| Molecular Weight | 250.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.01607 |
| Heavy Atoms | 17 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 307505-75-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)SC2=NNC(=O)NC2=O |
| InChIKey | BLCZUANKPFSHNT-UHFFFAOYSA-N |
Product Overview
S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate (CAS 307505-75-5), with molecular formula C9H6N4O3S and molecular weight 250.02 g/mol. IUPAC: S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) pyridine-3-carbothioate.
Chemical Property Profile of S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate
Property Insights of S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate. Following Lipinski's Rule of Five, S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate has 2 hydrogen bond donor(s) and 6 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 S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate?
The CAS number of S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate is 307505-75-5.
What is the molecular formula of S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate?
The molecular formula of S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate is C9H6N4O3S.
What is the molecular weight of S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate?
The molecular weight of S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate is 250.02 g/mol.
Where can I buy S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate?
You can request a quote for S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(3,5-dihydroxy-1,2,4-triazin-6-yl) pyridine-3-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.