TL;DR: Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)- (CAS 117483-22-4) is a chemical compound with molecular formula C12H14N4S2 and molecular weight 278.06598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)thiourea
Also Known As: BAS 00444150, Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)-, 1-phenyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)thiourea, 1-Phenyl-3-(5-propyl-[1,3,4]thiadiazol-2-yl)-thiourea
| Molecular Formula | C12H14N4S2 |
| Molecular Weight | 278.06598 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.06598 Da |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
| SMILES | CCCC1=NN=C(S1)NC(=S)NC2=CC=CC=C2 |
| InChIKey | MNESZJUUVUWRNW-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)-. Following Lipinski's Rule of Five, Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)- is 117483-22-4.
The molecular formula of Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)- is C12H14N4S2.
The molecular weight of Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)- is 278.06598 g/mol.
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