TL;DR: Thiourea, (3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)- (CAS 130111-94-3) is a chemical compound with molecular formula C11H12ClN3O2S and molecular weight 285.03387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]thiourea
Also Known As: (3-Chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)thiourea, Thiourea, (3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)-, [3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]thiourea, N-[3-Chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]carbamimidothioic acid, BRN 4259302
| Molecular Formula | C11H12ClN3O2S |
| Molecular Weight | 285.03387 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 99.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.03387 Da |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
| SMILES | COC1=CC=C(C=C1)C2C(C(=O)N2NC(=S)N)Cl |
| InChIKey | YMRZZAJAAXRRNB-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiourea, (3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)-. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiourea, (3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)-. Following Lipinski's Rule of Five, Thiourea, (3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)- 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 Thiourea, (3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)- is 130111-94-3.
The molecular formula of Thiourea, (3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)- is C11H12ClN3O2S.
The molecular weight of Thiourea, (3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)- is 285.03387 g/mol.
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