TL;DR: 1,3-Bis(4-dimethylaminophenyl)thiourea (CAS 13991-81-6) is a chemical compound with molecular formula C17H22N4S and molecular weight 314.15652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis[4-(dimethylamino)phenyl]thiourea
Also Known As: Glycyrrhizicacid, 4,4'-Bis(dimethylamino)thiocarbanilide, 1,3-bis(4-dimethylaminophenyl)thiourea, 1,3-Bis(4-(dimethylamino)phenyl)thiourea, N,N'-bis[4-(dimethylamino)phenyl]thiourea
| Molecular Formula | C17H22N4S |
| Molecular Weight | 314.15652 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.15652 Da |
| Heavy Atoms | 22 |
| Complexity | 311.0 |
| SMILES | CN(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N(C)C |
| InChIKey | PZLTXMRUOFZLOW-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(4-dimethylaminophenyl)thiourea. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-dimethylaminophenyl)thiourea. Following Lipinski's Rule of Five, 1,3-Bis(4-dimethylaminophenyl)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Bis(4-dimethylaminophenyl)thiourea is 13991-81-6.
The molecular formula of 1,3-Bis(4-dimethylaminophenyl)thiourea is C17H22N4S.
The molecular weight of 1,3-Bis(4-dimethylaminophenyl)thiourea is 314.15652 g/mol.
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