TL;DR: 1-Amino-3-[4-(2-phenylethenyl)phenyl]thiourea (CAS 108112-27-2) is a chemical compound with molecular formula C15H15N3S and molecular weight 269.09866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-[4-(2-phenylethenyl)phenyl]thiourea
Also Known As: 4-(4-(2-Phenylethenyl)phenyl)thiosemicarbazide, 1-amino-3-[4-(2-phenylethenyl)phenyl]thiourea, Hydrazinecarbothioamide,N-[4-(2-phenylethenyl)phenyl]-, N-(4-(2-Phenylethenyl)phenyl)hydrazinecarbothioamide, Hydrazinecarbothioamide, N-(4-(2-phenylethenyl)phenyl)-
| Molecular Formula | C15H15N3S |
| Molecular Weight | 269.09866 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.09866 Da |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
| SMILES | C1=CC=C(C=C1)C=CC2=CC=C(C=C2)NC(=S)NN |
| InChIKey | LOHQYUPRRFGEPO-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-Amino-3-[4-(2-phenylethenyl)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-3-[4-(2-phenylethenyl)phenyl]thiourea. Following Lipinski's Rule of Five, 1-Amino-3-[4-(2-phenylethenyl)phenyl]thiourea has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Amino-3-[4-(2-phenylethenyl)phenyl]thiourea is 108112-27-2.
The molecular formula of 1-Amino-3-[4-(2-phenylethenyl)phenyl]thiourea is C15H15N3S.
The molecular weight of 1-Amino-3-[4-(2-phenylethenyl)phenyl]thiourea is 269.09866 g/mol.
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