(1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-
TL;DR: (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)- (CAS 127399-32-0) is a chemical compound with molecular formula C11H10N4OS3 and molecular weight 310.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-methylphenoxy)methyl]-4H-[1,2,4]triazolo[3,4-c][1,2,4,5]dithiadiazine-3-thione
Also Known As: (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-, 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole, [1,2,4]Triazolo[3,4-c]-1,2,4,5-dithiadiazine-3(4H)-thione, 6-[(4-methylphenoxy)methyl]-, 6-((p-Tolyloxy)methyl)-[1,2,4]triazolo[3,4-c][1,2,4,5]dithiadiazine-3(4H)-thione, 6-[(4-methylphenoxy)methyl]-4H-[1,2,4]triazolo[3,4-c][1,2,4,5]dithiadiazine-3-thione
| Molecular Formula | C11H10N4OS3 |
|---|---|
| Molecular Weight | 310.00 g/mol |
| LogP | 2.74782 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.00168 |
| Heavy Atoms | 19 |
| Complexity | 610.9029 |
Chemical Identifiers
| CAS Number | 127399-32-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C3N2NC(=S)SS3 |
Product Overview
(1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)- (CAS 127399-32-0), with molecular formula C11H10N4OS3 and molecular weight 310.00 g/mol. IUPAC: 6-[(4-methylphenoxy)methyl]-4H-[1,2,4]triazolo[3,4-c][1,2,4,5]dithiadiazine-3-thione.
Chemical Property Profile of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-
Property Insights of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-
The XLogP value of 2.74782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-. With a topological polar surface area (TPSA) of 51.97 Ų, (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)- has 1 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 (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-?
The CAS number of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)- is 127399-32-0.
What is the molecular formula of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-?
The molecular formula of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)- is C11H10N4OS3.
What is the molecular weight of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-?
The molecular weight of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)- is 310.00 g/mol.
Where can I buy (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-?
You can request a quote for (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-((4-methylphenoxy)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.