TL;DR: 2,4,6-Tris(chlorosulfanyl)-1,3,5-triazine (CAS 13320-09-7) is a chemical compound with molecular formula C3Cl3N3S3 and molecular weight 278.832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4,6-bis(chlorosulfanyl)-1,3,5-triazin-2-yl] thiohypochlorite
Also Known As: 2,4,6-Tris(chlorosulfanyl)-1,3,5-triazine, 1,3,5-triazin-2,4,6-trisulfenyltrichlorid, J1.134.151I, 1,3,5-Triazine-2,4,6-tri(sulfenyl chloride), [4,6-bis(chlorosulfanyl)-1,3,5-triazin-2-yl] thiohypochlorit
| Molecular Formula | C3Cl3N3S3 |
| Molecular Weight | 278.832 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.832 Da |
| Heavy Atoms | 12 |
| Complexity | 105.0 |
| SMILES | C1(=NC(=NC(=N1)SCl)SCl)SCl |
| InChIKey | ZGMQIGKKGRJMQQ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2,4,6-Tris(chlorosulfanyl)-1,3,5-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Tris(chlorosulfanyl)-1,3,5-triazine. Following Lipinski's Rule of Five, 2,4,6-Tris(chlorosulfanyl)-1,3,5-triazine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4,6-Tris(chlorosulfanyl)-1,3,5-triazine is 13320-09-7.
The molecular formula of 2,4,6-Tris(chlorosulfanyl)-1,3,5-triazine is C3Cl3N3S3.
The molecular weight of 2,4,6-Tris(chlorosulfanyl)-1,3,5-triazine is 278.832 g/mol.
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