TL;DR: N,N'-Bis(4-bromophenyl)-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)guanidine (CAS 151220-60-9) is a chemical compound with molecular formula C15H10Br2N4S3 and molecular weight 499.84344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-bis(4-bromophenyl)-1-(5-sulfanylidene-1,2,4-dithiazol-3-yl)guanidine
Also Known As: N',N'-Bis(4-bromophenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)guanidine, 1,5-di-o-acetyl-2,3-di-o-benzoyl-4-thiopentofuranose, Guanidine, N',N'-bis(4-bromophenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)-, 5H-1,2,4-Dithiazole-5-thione, 3-((amino((4-bromophenyl)imino)methyl)(4-bromophenyl)amino)-, 5-[1,2-Bis(4-bromophenyl)guanidino]-3H-1,2,4-dithiazole-3-thione
| Molecular Formula | C15H10Br2N4S3 |
| Molecular Weight | 499.84344 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.84344 Da |
| Heavy Atoms | 24 |
| Complexity | 527.0 |
| SMILES | C1=CC(=CC=C1N=C(N)N(C2=CC=C(C=C2)Br)C3=NC(=S)SS3)Br |
| InChIKey | QGBAIRDRCHHLKO-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that N,N'-Bis(4-bromophenyl)-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)guanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Bis(4-bromophenyl)-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)guanidine. Following Lipinski's Rule of Five, N,N'-Bis(4-bromophenyl)-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)guanidine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N'-Bis(4-bromophenyl)-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)guanidine is 151220-60-9.
The molecular formula of N,N'-Bis(4-bromophenyl)-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)guanidine is C15H10Br2N4S3.
The molecular weight of N,N'-Bis(4-bromophenyl)-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)guanidine is 499.84344 g/mol.
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