TL;DR: 4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-naphthalenylmethyl)-2-thioxo- (CAS 108618-38-8) is a chemical compound with molecular formula C15H12N2OS and molecular weight 268.06705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(naphthalen-2-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 10-ethylanthrone, S-DABO deriv., 4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-naphthalenylmethyl)-2-thioxo-, 6-(2-naphthylmethyl)-2-thioxo-1H-pyrimidin-4-one, 6-(naphthalen-2-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C15H12N2OS |
| Molecular Weight | 268.06705 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.06705 Da |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)CC3=CC(=O)NC(=S)N3 |
| InChIKey | RTABYIHINFKBLO-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-naphthalenylmethyl)-2-thioxo-. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-naphthalenylmethyl)-2-thioxo-. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-naphthalenylmethyl)-2-thioxo- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-naphthalenylmethyl)-2-thioxo- is 108618-38-8.
The molecular formula of 4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-naphthalenylmethyl)-2-thioxo- is C15H12N2OS.
The molecular weight of 4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-naphthalenylmethyl)-2-thioxo- is 268.06705 g/mol.
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