TL;DR: N-(2-((2-((Aminocarbothioyl)(methyl)amino)ethyl)dithio)ethyl)-N-methylthiourea (CAS 15267-13-7) is a chemical compound with molecular formula C8H18N4S4 and molecular weight 298.04144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[2-[carbamothioyl(methyl)amino]ethyldisulfanyl]ethyl]-1-methylthiourea
Also Known As: 4,5-Dihydro-selenazol-2-ylamin, 1,1'-(Dithiodiethylene)bis(1-methyl-2-thio-urea, N-(2-((2-((Aminocarbothioyl)(methyl)amino)ethyl)dithio)ethyl)-N-methylthiourea, UREA, 1,1'-(DITHIODIETHYLENE)BIS(1-METHYL-2-THIO-, Urea,1,1'-(dithiodiethylene)bis[1-methyl-2-thio- (8CI)
| Molecular Formula | C8H18N4S4 |
| Molecular Weight | 298.04144 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.04144 Da |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
| SMILES | CN(CCSSCCN(C)C(=S)N)C(=S)N |
| InChIKey | XBJFOBPZJUHDTF-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-((2-((Aminocarbothioyl)(methyl)amino)ethyl)dithio)ethyl)-N-methylthiourea. The TPSA of 173.0 Ų indicates high polarity, suggesting N-(2-((2-((Aminocarbothioyl)(methyl)amino)ethyl)dithio)ethyl)-N-methylthiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-((2-((Aminocarbothioyl)(methyl)amino)ethyl)dithio)ethyl)-N-methylthiourea has 2 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 N-(2-((2-((Aminocarbothioyl)(methyl)amino)ethyl)dithio)ethyl)-N-methylthiourea is 15267-13-7.
The molecular formula of N-(2-((2-((Aminocarbothioyl)(methyl)amino)ethyl)dithio)ethyl)-N-methylthiourea is C8H18N4S4.
The molecular weight of N-(2-((2-((Aminocarbothioyl)(methyl)amino)ethyl)dithio)ethyl)-N-methylthiourea is 298.04144 g/mol.
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