TL;DR: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide (CAS 315200-96-5) is a chemical compound with molecular formula C24H20N4O2S3 and molecular weight 492.07483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
Also Known As: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide, (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(3-phenoxybenzylidene)acetohydrazide, 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
| Molecular Formula | C24H20N4O2S3 |
| Molecular Weight | 492.07483 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 492.07483 Da |
| Heavy Atoms | 33 |
| Complexity | 615.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | JHEVGSKVZRXDPR-MFKUBSTISA-N |
The XLogP value of 6.1 indicates that 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide is 315200-96-5.
The molecular formula of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide is C24H20N4O2S3.
The molecular weight of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide is 492.07483 g/mol.
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