TL;DR: Guanidine, (2-((2-(methylthio)ethyl)amino)ethyl)-, sulfate (2:1) (CAS 17719-22-1) is a chemical compound with molecular formula C12H34N8O4S3 and molecular weight 450.18652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(diaminomethylidene-[2-(2-methylsulfanylethylamino)ethyl]azanium);sulfate
Also Known As: 2-(2-Methylthioethylamino)ethylguanidine sulfate, C6H16N4S.1/2H2O4S, C6-H16-N4-S.1/2H2-O4-S, GUANIDINE, (2-((2-(METHYLTHIO)ETHYL)AMINO)ETHYL)-, SULFATE (2:1), diaminomethylidene-[2-(2-methylsulfanylethylamino)ethyl]azanium sulfate
| Molecular Formula | C12H34N8O4S3 |
| Molecular Weight | 450.18652 g/mol |
| XLogP | -6.75 |
| Topological Polar Surface Area (TPSA) | 295.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 450.18652 Da |
| Heavy Atoms | 27 |
| Complexity | 173.0 |
| SMILES | CSCCNCC[NH+]=C(N)N.CSCCNCC[NH+]=C(N)N.[O-]S(=O)(=O)[O-] |
| InChIKey | WICKHHQUSVFUHU-UHFFFAOYSA-N |
The XLogP value of -6.75 indicates that Guanidine, (2-((2-(methylthio)ethyl)amino)ethyl)-, sulfate (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 295.0 Ų indicates high polarity, suggesting Guanidine, (2-((2-(methylthio)ethyl)amino)ethyl)-, sulfate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, (2-((2-(methylthio)ethyl)amino)ethyl)-, sulfate (2:1) has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Guanidine, (2-((2-(methylthio)ethyl)amino)ethyl)-, sulfate (2:1) is 17719-22-1.
The molecular formula of Guanidine, (2-((2-(methylthio)ethyl)amino)ethyl)-, sulfate (2:1) is C12H34N8O4S3.
The molecular weight of Guanidine, (2-((2-(methylthio)ethyl)amino)ethyl)-, sulfate (2:1) is 450.18652 g/mol.
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