S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate
TL;DR: S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate (CAS 24168-34-1) is a chemical compound with molecular formula C10H7N3O3S and molecular weight 249.02 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) benzenecarbothioate
Also Known As: 5-Benzoylpyridazin-4-carbonsaeureethylester, 1,2,4-Triazine-3,5(2H,4H)-dione, 6-benzoylthio-, S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate, S-(3,5-Dihydroxy-1,2,4-triazin-6-yl) benzenecarbothioate, S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate
| Molecular Formula | C10H7N3O3S |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.02081 |
| Heavy Atoms | 17 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 24168-34-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC2=NNC(=O)NC2=O |
| InChIKey | NADNGNYULOPOGE-UHFFFAOYSA-N |
Product Overview
S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate (CAS 24168-34-1), with molecular formula C10H7N3O3S and molecular weight 249.02 g/mol. IUPAC: S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate.
Chemical Property Profile of S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate
Property Insights of S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate. Following Lipinski's Rule of Five, S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate has 2 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 S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate?
The CAS number of S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate is 24168-34-1.
What is the molecular formula of S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate?
The molecular formula of S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate is C10H7N3O3S.
What is the molecular weight of S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate?
The molecular weight of S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate is 249.02 g/mol.
Where can I buy S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate?
You can request a quote for S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate 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-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.