![2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one structure](/static/products/874/87450-74-6.png)
2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one
TL;DR: 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one (CAS 87450-74-6) is a chemical compound with molecular formula C7H9N3OS and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-prop-2-enyl-3-sulfanylidene-1,2,4-triazin-5-one
Also Known As: 6-methyl-2-prop-2-enyl-3-sulfanylidene-1,2,4-triazin-5-one, 2-allyl-3-thio-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione, 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one
| Molecular Formula | C7H9N3OS |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.79531 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.04663 |
| Heavy Atoms | 12 |
| Complexity | 403.8479 |
Chemical Identifiers
| CAS Number | 87450-74-6 |
|---|---|
| SMILES | CC1=NN(C(=S)NC1=O)CC=C |
Product Overview
2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one (CAS 87450-74-6), with molecular formula C7H9N3OS and molecular weight 183.05 g/mol. IUPAC: 6-methyl-2-prop-2-enyl-3-sulfanylidene-1,2,4-triazin-5-one.
Chemical Property Profile of 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one
Property Insights of 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one
The XLogP value of 0.79531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one. With a topological polar surface area (TPSA) of 50.68 Ų, 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one has 1 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 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one?
The CAS number of 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one is 87450-74-6.
What is the molecular formula of 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one?
The molecular formula of 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one is C7H9N3OS.
What is the molecular weight of 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one?
The molecular weight of 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one is 183.05 g/mol.
Where can I buy 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one?
You can request a quote for 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[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 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Allyl-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.