TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-((((4-chlorophenyl)azo)(4-methoxyphenyl)methylene)amino)phenyl)- (CAS 122352-00-5) is a chemical compound with molecular formula C22H16ClN5O2S and molecular weight 449.07132 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chlorophenyl)imino-4-methoxy-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-((((4-chlorophenyl)azo)(4-methoxyphenyl)methylene)amino)phenyl)-, 5-(4-(((4-Chlorophenylazo)(4-methoxyphenyl)methylene)amino)phenyl)-1,3,4-oxadiazole-2-thione, N-(4-chlorophenyl)imino-4-methoxy-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide, BRN 4601002
| Molecular Formula | C22H16ClN5O2S |
| Molecular Weight | 449.07132 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.07132 Da |
| Heavy Atoms | 31 |
| Complexity | 707.0 |
| SMILES | COC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C3=NNC(=S)O3)N=NC4=CC=C(C=C4)Cl |
| InChIKey | XBBBTQHIQVEVAD-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-((((4-chlorophenyl)azo)(4-methoxyphenyl)methylene)amino)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-((((4-chlorophenyl)azo)(4-methoxyphenyl)methylene)amino)phenyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-((((4-chlorophenyl)azo)(4-methoxyphenyl)methylene)amino)phenyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-((((4-chlorophenyl)azo)(4-methoxyphenyl)methylene)amino)phenyl)- is 122352-00-5.
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-((((4-chlorophenyl)azo)(4-methoxyphenyl)methylene)amino)phenyl)- is C22H16ClN5O2S.
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-((((4-chlorophenyl)azo)(4-methoxyphenyl)methylene)amino)phenyl)- is 449.07132 g/mol.
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