TL;DR: p-CHLOROPHENYL-4-THIOSEMICARBAZIDE (CAS 116989-73-2) is a chemical compound with molecular formula C24H17ClN6OS and molecular weight 472.0873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: p-CHLOROPHENYL-4-THIOSEMICARBAZIDE, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-methoxyphenyl)-, 3-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione, 3H-1,2,4-Triazole-3-thione,5-[(9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-2,4-dihydro-4-(4-methoxyphenyl)-, 5-[(9-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C24H17ClN6OS |
| Molecular Weight | 472.0873 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 99.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.0873 Da |
| Heavy Atoms | 33 |
| Complexity | 776.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=C(C=C(C=C4)Cl)C5=NC6=CC=CC=C6N=C53 |
| InChIKey | CRXOQKIUPADUML-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that p-CHLOROPHENYL-4-THIOSEMICARBAZIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for p-CHLOROPHENYL-4-THIOSEMICARBAZIDE. Following Lipinski's Rule of Five, p-CHLOROPHENYL-4-THIOSEMICARBAZIDE has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE is 116989-73-2.
The molecular formula of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE is C24H17ClN6OS.
The molecular weight of p-CHLOROPHENYL-4-THIOSEMICARBAZIDE is 472.0873 g/mol.
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