3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one
TL;DR: 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one (CAS 7338-80-9) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 6-benzyl-3-sulfanyl-1,2,4-triazin-5-ol, 6-benzyl-2,3-dihydro-3-thioxo-1,2,4-triazin-5(4H)-one, 6-Benzyl-3-mercapto-1,2,4-triazine-5(4H)-one, 6-benzyl-3-thioxo-2H,4H-1,2,4-triazin-5-one, 6-benzyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 7338-80-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NNC(=S)NC2=O |
| InChIKey | FVLMRSJALFJPOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one (CAS 7338-80-9), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 6-benzyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one
Property Insights of 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one. Following Lipinski's Rule of Five, 3,4-Dihydro-6-(phenylmethyl)-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-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one?
The CAS number of 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one is 7338-80-9.
What is the molecular formula of 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one?
The molecular formula of 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one is C10H9N3OS.
What is the molecular weight of 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one?
The molecular weight of 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one is 219.05 g/mol.
Where can I buy 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one?
You can request a quote for 3,4-Dihydro-6-(phenylmethyl)-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-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-6-(phenylmethyl)-3-thioxo-1,2,4-triazin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.