(1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl-
TL;DR: (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl- (CAS 127399-31-9) is a chemical compound with molecular formula C9H6N4S3 and molecular weight 265.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-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-phenyl-, 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole, 6-phenyl-4H-[1,2,4]triazolo[3,4-c][1,2,4,5]dithiadiazine-3-thione, 6-Phenyl[1,2,4]triazolo[3,4-c][1,2,4,5]dithiadiazine-3(4H)-thione, 9-phenyl-4,5-dithia-1,2,7,8-tetrazabicyclo[4.3.0]nona-6,8-diene-3-thione
| Molecular Formula | C9H6N4S3 |
|---|---|
| Molecular Weight | 265.98 g/mol |
| LogP | 2.5274 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.97546 |
| Heavy Atoms | 16 |
| Complexity | 536.9421 |
Chemical Identifiers
| CAS Number | 127399-31-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C3N2NC(=S)SS3 |
Product Overview
(1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl- (CAS 127399-31-9), with molecular formula C9H6N4S3 and molecular weight 265.98 g/mol. IUPAC: 6-phenyl-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-phenyl-
Property Insights of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl-
The XLogP value of 2.5274 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-phenyl-. With a topological polar surface area (TPSA) of 42.74 Ų, (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl- 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-phenyl- has 1 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 (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl-?
The CAS number of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl- is 127399-31-9.
What is the molecular formula of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl-?
The molecular formula of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl- is C9H6N4S3.
What is the molecular weight of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl-?
The molecular weight of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl- is 265.98 g/mol.
Where can I buy (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl-?
You can request a quote for (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl- 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-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.