TL;DR: (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(((4-chlorophenyl)methylene)amino)-4-phenyl- (CAS 135718-64-8) is a chemical compound with molecular formula C23H20ClN3S2 and molecular weight 437.0787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-chlorophenyl)methylideneamino]-4-phenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
Also Known As: (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(((4-chlorophenyl)methylene)amino)-4-phenyl-
| Molecular Formula | C23H20ClN3S2 |
| Molecular Weight | 437.0787 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.0787 Da |
| Heavy Atoms | 29 |
| Complexity | 615.0 |
| SMILES | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)N=CC5=CC=C(C=C5)Cl |
| InChIKey | BYMOAMLNEQPJRG-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(((4-chlorophenyl)methylene)amino)-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(((4-chlorophenyl)methylene)amino)-4-phenyl-. Following Lipinski's Rule of Five, (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(((4-chlorophenyl)methylene)amino)-4-phenyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(((4-chlorophenyl)methylene)amino)-4-phenyl- is 135718-64-8.
The molecular formula of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(((4-chlorophenyl)methylene)amino)-4-phenyl- is C23H20ClN3S2.
The molecular weight of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(((4-chlorophenyl)methylene)amino)-4-phenyl- is 437.0787 g/mol.
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