TL;DR: 1-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylthiourea (CAS 1415974-74-1) is a chemical compound with molecular formula C15H15BrN2S and molecular weight 334.01392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylthiourea
Also Known As: Thiourea,N-[(1S)-1-(4-bromophenyl)ethyl]-N'-phenyl-, 1-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylthiourea
| Molecular Formula | C15H15BrN2S |
| Molecular Weight | 334.01392 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.01392 Da |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
| SMILES | C[C@@H](C1=CC=C(C=C1)Br)NC(=S)NC2=CC=CC=C2 |
| InChIKey | QFOOMDSCOQUQNB-NSHDSACASA-N |
The XLogP value of 4.1 indicates that 1-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylthiourea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylthiourea is 1415974-74-1.
The molecular formula of 1-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylthiourea is C15H15BrN2S.
The molecular weight of 1-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylthiourea is 334.01392 g/mol.
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