Compound C12H18I2N4OS
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;iodide;hydroiodide
| Molecular Formula | C12H18I2N4OS |
|---|---|
| Molecular Weight | 520.17 g/mol |
| Topological Polar Surface Area | 104.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.9291 |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 4175-03-5 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.I.[I-] |
| InChIKey | ZQVGYEFKXIDVRT-UHFFFAOYSA-M |
📖 Product Overview
Compound C12H18I2N4OS (CAS: 4175-03-5) is a chemical compound with molecular formula C12H18I2N4OS and molecular weight 520.17 g/mol. Its IUPAC systematic name is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;iodide;hydroiodide.
ZQVGYEFKXIDVRT-UHFFFAOYSA-M.
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.I.[I-].
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