TL;DR: 2-[2-(1H-indol-3-yl)acetyl]-N-phenyl-1-hydrazinecarbothioamide (CAS 153595-90-5) is a chemical compound with molecular formula C17H16N4OS and molecular weight 324.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylthiourea
Also Known As: 2-(1H-indol-3-yl)-N-[(phenylcarbamothioyl)amino]acetamide, 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylthiourea, 2-[2-(1H-indol-3-yl)acetyl]-N-phenyl-1-hydrazinecarbothioamide, 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenyl-thiourea, 1-(2-INDOL-3-YLACETYL)-4-PHENYLTHIOSEMICARBAZIDE
| Molecular Formula | C17H16N4OS |
| Molecular Weight | 324.1045 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.1045 Da |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CNC3=CC=CC=C32 |
| InChIKey | DSQZTVDZCIDKCB-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(1H-indol-3-yl)acetyl]-N-phenyl-1-hydrazinecarbothioamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(1H-indol-3-yl)acetyl]-N-phenyl-1-hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-[2-(1H-indol-3-yl)acetyl]-N-phenyl-1-hydrazinecarbothioamide has 4 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 2-[2-(1H-indol-3-yl)acetyl]-N-phenyl-1-hydrazinecarbothioamide is 153595-90-5.
The molecular formula of 2-[2-(1H-indol-3-yl)acetyl]-N-phenyl-1-hydrazinecarbothioamide is C17H16N4OS.
The molecular weight of 2-[2-(1H-indol-3-yl)acetyl]-N-phenyl-1-hydrazinecarbothioamide is 324.1045 g/mol.
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