TL;DR: Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)- (CAS 100650-69-9) is a chemical compound with molecular formula C12H18N6OS and molecular weight 294.12628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyano-2-methyl-3-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]guanidine
Also Known As: Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)-, 1-cyano-2-methyl-3-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]guanidine
| Molecular Formula | C12H18N6OS |
| Molecular Weight | 294.12628 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.12628 Da |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
| SMILES | CN=C(NCCSCC1C2=C(CCO1)NC=N2)NC#N |
| InChIKey | HHUUPULKLSRLTN-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)-. Following Lipinski's Rule of Five, Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)- is 100650-69-9.
The molecular formula of Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)- is C12H18N6OS.
The molecular weight of Guanidine, N-cyano-N'-methyl-N''-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)- is 294.12628 g/mol.
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