TL;DR: 3,3-Dimethyl-1-{[phenyl(pyridin-2-yl)methylidene]amino}thiourea (CAS 152094-66-1) is a chemical compound with molecular formula C15H16N4S and molecular weight 284.10956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dimethyl-3-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
Also Known As: 3,3-dimethyl-1-{[phenyl(pyridin-2-yl)methylidene]amino}thiourea, 1,1-dimethyl-3-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea, (Z)-N,N-Dimethyl-2-[phenyl(pyridin-2- yl)methylidene]hydrazinecarbothioamide, N,N-DIMETHYL-2-(PHENYL(PYRIDIN-2-YL)METHYLENE)HYDRAZINE-1-CARBOTHIOAMIDE, G25375
| Molecular Formula | C15H16N4S |
| Molecular Weight | 284.10956 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.10956 Da |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
| SMILES | CN(C)C(=S)N/N=C(/C1=CC=CC=C1)\C2=CC=CC=N2 |
| InChIKey | KUHVCGKIRQEOHA-VKAVYKQESA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-{[phenyl(pyridin-2-yl)methylidene]amino}thiourea. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Dimethyl-1-{[phenyl(pyridin-2-yl)methylidene]amino}thiourea. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-{[phenyl(pyridin-2-yl)methylidene]amino}thiourea has 1 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 3,3-Dimethyl-1-{[phenyl(pyridin-2-yl)methylidene]amino}thiourea is 152094-66-1.
The molecular formula of 3,3-Dimethyl-1-{[phenyl(pyridin-2-yl)methylidene]amino}thiourea is C15H16N4S.
The molecular weight of 3,3-Dimethyl-1-{[phenyl(pyridin-2-yl)methylidene]amino}thiourea is 284.10956 g/mol.
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