TL;DR: [(4,6-dimethylpyrimidin-2-ylthio)methyl] methylcyanocarbonimidodithioate (CAS 120958-21-6) is a chemical compound with molecular formula C10H12N4S3 and molecular weight 284.0224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide
Also Known As: [(4,6-dimethylpyrimidin-2-ylthio)methyl] methylcyanocarbonimidodithioate|[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide|5-bromo-2-methyl-1,3-oxazole-4-carboxylic acid|[(4,6-Dimethylpyrimidin-2-ylthio)methyl] methyl cyanocarbonimidodithioate|[(4,6-dimethylpyrimidin-2-ylthio)methyl]methylcyanocarbonimidodithioate|AI-067/31569041|((4,6-Dimethylpyrimidin-2-yl)thio)methyl methyl cyanocarbonimidodithioate|[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl methyl cyanodithioimidocarbonate|[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl methyl cyanocarbonodithioimidate|MFCD06658010|DB-041592
| Molecular Formula | C10H12N4S3 |
| Molecular Weight | 284.0224 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.0224 Da |
| Heavy Atoms | 17 |
| Complexity | 302.0 |
| SMILES | CC1=CC(=NC(=N1)SCSC(=NC#N)SC)C |
| InChIKey | XFILWIUYFBQEOA-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that [(4,6-dimethylpyrimidin-2-ylthio)methyl] methylcyanocarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4,6-dimethylpyrimidin-2-ylthio)methyl] methylcyanocarbonimidodithioate. Following Lipinski's Rule of Five, [(4,6-dimethylpyrimidin-2-ylthio)methyl] methylcyanocarbonimidodithioate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(4,6-dimethylpyrimidin-2-ylthio)methyl] methylcyanocarbonimidodithioate is 120958-21-6.
The molecular formula of [(4,6-dimethylpyrimidin-2-ylthio)methyl] methylcyanocarbonimidodithioate is C10H12N4S3.
The molecular weight of [(4,6-dimethylpyrimidin-2-ylthio)methyl] methylcyanocarbonimidodithioate is 284.0224 g/mol.
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