TL;DR: 4-Amino-2-bromotetrahydrothiophene-3-OL 1,1-dioxide (CAS 146578-03-2) is a chemical compound with molecular formula C4H8BrNO3S and molecular weight 228.94083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-2-bromo-1,1-dioxothiolan-3-ol
Also Known As: 4-amino-2-bromo-1,1-dioxothiolan-3-ol, 4-AMINO-2-BROMOTETRAHYDROTHIOPHENE-3-OL 1,1-DIOXIDE, CHEMBRDG-BB4171158, CHEMBRDG-BB 4171158, 4-amino-2-bromo-1,1-dioxo-thiolan-3-ol
| Molecular Formula | C4H8BrNO3S |
| Molecular Weight | 228.94083 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.94083 Da |
| Heavy Atoms | 10 |
| Complexity | 221.0 |
| SMILES | C1C(C(C(S1(=O)=O)Br)O)N |
| InChIKey | FNMSLADHZKQCNA-UHFFFAOYSA-N |
The XLogP value of -1.2 indicates that 4-Amino-2-bromotetrahydrothiophene-3-OL 1,1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-bromotetrahydrothiophene-3-OL 1,1-dioxide. Following Lipinski's Rule of Five, 4-Amino-2-bromotetrahydrothiophene-3-OL 1,1-dioxide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Amino-2-bromotetrahydrothiophene-3-OL 1,1-dioxide is 146578-03-2.
The molecular formula of 4-Amino-2-bromotetrahydrothiophene-3-OL 1,1-dioxide is C4H8BrNO3S.
The molecular weight of 4-Amino-2-bromotetrahydrothiophene-3-OL 1,1-dioxide is 228.94083 g/mol.
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