TL;DR: Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)- (CAS 151220-52-9) is a chemical compound with molecular formula C17H16N4S3 and molecular weight 372.0537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-bis(3-methylphenyl)-1-(5-sulfanylidene-1,2,4-dithiazol-3-yl)guanidine
Also Known As: 3-Thio-5-(N-m-tolyl-N'-m-tolylguanyl)-1,2,4-dithiazole, Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)-, N,N'-Bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)guanidine, 5H-1,2,4-Dithiazole-5-thione, 3-((amino((3-methylphenyl)imino)methyl)(3-methylphenyl)amino)-, 1,5-di-o-acetyl-2,3-di-o-benzoyl-4-thiopentofuranose
| Molecular Formula | C17H16N4S3 |
| Molecular Weight | 372.0537 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.0537 Da |
| Heavy Atoms | 24 |
| Complexity | 534.0 |
| SMILES | CC1=CC(=CC=C1)N=C(N)N(C2=CC=CC(=C2)C)C3=NC(=S)SS3 |
| InChIKey | YLSYHHMMZHHIFN-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)- 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 Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)-. Following Lipinski's Rule of Five, Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)- is 151220-52-9.
The molecular formula of Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)- is C17H16N4S3.
The molecular weight of Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)- is 372.0537 g/mol.
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