TL;DR: (4S)-4-Amino-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione (CAS 1212853-38-7) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
Also Known As: (S)-4-Aminothiochromane 1,1-dioxide, (4S)-4-amino-3,4-dihydro-2H-1, (4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine, (4s)-4-amino-2h,3h,4h-benzo[e]thiin-1,1-dione, (4S)-4-Amino-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.05106 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.05106 Da |
| Heavy Atoms | 13 |
| Complexity | 280.0 |
| SMILES | C1CS(=O)(=O)C2=CC=CC=C2[C@H]1N |
| InChIKey | AGQPICIMOSZNKU-QMMMGPOBSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S)-4-Amino-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S)-4-Amino-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione. Following Lipinski's Rule of Five, (4S)-4-Amino-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione has 1 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 (4S)-4-Amino-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione is 1212853-38-7.
The molecular formula of (4S)-4-Amino-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione is C9H11NO2S.
The molecular weight of (4S)-4-Amino-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione is 197.05106 g/mol.
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