TL;DR: 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracil (CAS 137897-90-6) is a chemical compound with molecular formula C15H16Cl2N2O3S2 and molecular weight 405.99796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(2-hydroxyethoxymethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: HEPT deriv., 5-Et-3',5'-DiClHEPT-S, 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracil, 6-[(3,5-Dichlorophenyl)thio]-5-ethyl-1-[(2-hydroxyethoxy)methyl]-2-thiouracil, 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C15H16Cl2N2O3S2 |
| Molecular Weight | 405.99796 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.99796 Da |
| Heavy Atoms | 24 |
| Complexity | 509.0 |
| SMILES | CCC1=C(N(C(=S)NC1=O)COCCO)SC2=CC(=CC(=C2)Cl)Cl |
| InChIKey | VNZBUAWVGRVNPV-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracil. Following Lipinski's Rule of Five, 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracil has 2 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 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracil is 137897-90-6.
The molecular formula of 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracil is C15H16Cl2N2O3S2.
The molecular weight of 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracil is 405.99796 g/mol.
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