TL;DR: N-tert-butyl-2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinecarbothioamide (CAS 1212329-40-2) is a chemical compound with molecular formula C15H21N3OS and molecular weight 291.14053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-tert-butyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiourea
Also Known As: 1-tert-butyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiourea, N-(tert-butyl)-2-((1S,2S)-2-phenylcyclopropanecarbonyl)hydrazinecarbothioamide, N-tert-butyl-2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinecarbothioamide
| Molecular Formula | C15H21N3OS |
| Molecular Weight | 291.14053 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.14053 Da |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
| SMILES | CC(C)(C)NC(=S)NNC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 |
| InChIKey | YRTJSZYWYAGVJX-NEPJUHHUSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinecarbothioamide. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-tert-butyl-2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinecarbothioamide 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 N-tert-butyl-2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinecarbothioamide is 1212329-40-2.
The molecular formula of N-tert-butyl-2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinecarbothioamide is C15H21N3OS.
The molecular weight of N-tert-butyl-2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinecarbothioamide is 291.14053 g/mol.
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