TL;DR: 4-(4-(Dimethylamino)phenyl)-2-methylthiosemicarbazide (CAS 1024427-14-2) is a chemical compound with molecular formula C10H16N4S and molecular weight 224.10957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-[4-(dimethylamino)phenyl]-1-methylthiourea
Also Known As: 4-(4-(DIMETHYLAMINO)PHENYL)-2-METHYLTHIOSEMICARBAZIDE, 3-amino-1-[4-(dimethylamino)phenyl]-3-methylthiourea, 1-amino-3-[4-(dimethylamino)phenyl]-1-methylthiourea, 1-amino-3-(4-dimethylaminophenyl)-1-methylthiourea, 1-amino-3-(4-dimethylaminophenyl)-1-methyl-thiourea
| Molecular Formula | C10H16N4S |
| Molecular Weight | 224.10957 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.10957 Da |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
| SMILES | CN(C)C1=CC=C(C=C1)NC(=S)N(C)N |
| InChIKey | ZVUWAKDQSKWSCW-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(Dimethylamino)phenyl)-2-methylthiosemicarbazide. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Dimethylamino)phenyl)-2-methylthiosemicarbazide. Following Lipinski's Rule of Five, 4-(4-(Dimethylamino)phenyl)-2-methylthiosemicarbazide 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 4-(4-(Dimethylamino)phenyl)-2-methylthiosemicarbazide is 1024427-14-2.
The molecular formula of 4-(4-(Dimethylamino)phenyl)-2-methylthiosemicarbazide is C10H16N4S.
The molecular weight of 4-(4-(Dimethylamino)phenyl)-2-methylthiosemicarbazide is 224.10957 g/mol.
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