TL;DR: 4-(4-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione (CAS 128483-26-1) is a chemical compound with molecular formula C18H15ClN2S and molecular weight 326.06445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
Also Known As: J3.560.498G, AB01333883-02, 4-(4-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione, 4-(4-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2-thiol, 4-(4-CHLOROPHENYL)-1H,2H,3H,4H,5H,6H-BENZO[H]QUINAZOLINE-2-THIONE
| Molecular Formula | C18H15ClN2S |
| Molecular Weight | 326.06445 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.06445 Da |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
| SMILES | C1CC2=C(C3=CC=CC=C31)NC(=S)NC2C4=CC=C(C=C4)Cl |
| InChIKey | CEUVYLKUHIQWOL-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4-(4-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 4-(4-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(4-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is 128483-26-1.
The molecular formula of 4-(4-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is C18H15ClN2S.
The molecular weight of 4-(4-chlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is 326.06445 g/mol.
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