TL;DR: (Bis(3-isobutylthioethyl)-6-methyluracil)-cis-dichloroplatinum (CAS 153660-61-8) is a chemical compound with molecular formula C22H36Cl2N4O4PtS2 and molecular weight 749.1203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(6-methyl-3-[2-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione);platinum(2+);dichloride
Also Known As: (Bis(3-isobutylthioethyl)-6-methyluracil)-cis-dichloroplatinum, Platinum, bis(6-methyl-3-(2-((2-methylpropyl)thio)ethyl)-2,4-(1H,3H)-pyrimidinedione-S)dichloro-, (SP-4-1)-, 6-methyl-3-[2-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione; platinum(2+); dichloride
| Molecular Formula | C22H36Cl2N4O4PtS2 |
| Molecular Weight | 749.1203 g/mol |
| XLogP | -3.52606 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 749.1203 Da |
| Heavy Atoms | 35 |
| Complexity | 313.0 |
| SMILES | CC1=CC(=O)N(C(=O)N1)CCSCC(C)C.CC1=CC(=O)N(C(=O)N1)CCSCC(C)C.[Cl-].[Cl-].[Pt+2] |
| InChIKey | KPKVMTMDJUHLJZ-UHFFFAOYSA-L |
The XLogP value of -3.52606 indicates that (Bis(3-isobutylthioethyl)-6-methyluracil)-cis-dichloroplatinum is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting (Bis(3-isobutylthioethyl)-6-methyluracil)-cis-dichloroplatinum may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Bis(3-isobutylthioethyl)-6-methyluracil)-cis-dichloroplatinum has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Bis(3-isobutylthioethyl)-6-methyluracil)-cis-dichloroplatinum is 153660-61-8.
The molecular formula of (Bis(3-isobutylthioethyl)-6-methyluracil)-cis-dichloroplatinum is C22H36Cl2N4O4PtS2.
The molecular weight of (Bis(3-isobutylthioethyl)-6-methyluracil)-cis-dichloroplatinum is 749.1203 g/mol.
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