(1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)-
TL;DR: (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)- (CAS 127399-33-1) is a chemical compound with molecular formula C9H5ClN4S3 and molecular weight 299.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chlorophenyl)-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-(2-chlorophenyl)-, 4-amino-3-benzoylmethylthio-5-phenyl-1,2,4-triazole, 6-(2-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,2,4,5]dithiadiazine-3-thione, 6-(2-Chlorophenyl)[1,2,4]triazolo[3,4-c][1,2,4,5]dithiadiazine-3(4H)-thione, 9-(2-chlorophenyl)-4,5-dithia-1,2,7,8-tetrazabicyclo[4.3.0]nona-6,8-diene-3-thione
| Molecular Formula | C9H5ClN4S3 |
|---|---|
| Molecular Weight | 299.94 g/mol |
| LogP | 3.1808 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.9365 |
| Heavy Atoms | 17 |
| Complexity | 597.67694 |
Chemical Identifiers
| CAS Number | 127399-33-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C3N2NC(=S)SS3)Cl |
Product Overview
(1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)- (CAS 127399-33-1), with molecular formula C9H5ClN4S3 and molecular weight 299.94 g/mol. IUPAC: 6-(2-chlorophenyl)-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-(2-chlorophenyl)-
Property Insights of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)-
The XLogP value of 3.1808 indicates that (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-(2-chlorophenyl)- 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-(2-chlorophenyl)- 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-(2-chlorophenyl)-?
The CAS number of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)- is 127399-33-1.
What is the molecular formula of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)-?
The molecular formula of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)- is C9H5ClN4S3.
What is the molecular weight of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)-?
The molecular weight of (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)- is 299.94 g/mol.
Where can I buy (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)-?
You can request a quote for (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)- 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-(2-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for (1,2,4)Triazolo(3,4-c)-1,2,4,5-dithiadiazine-3(4H)-thione, 6-(2-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.