TL;DR: Thiophene-3-ol, 4-amino-2,2-dibromotetrahydro-, 1,1-dioxide, cis- (CAS 146578-04-3) is a chemical compound with molecular formula C4H7Br2NO3S and molecular weight 306.85135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S)-4-amino-2,2-dibromo-1,1-dioxothiolan-3-ol
Also Known As: 4-amino-2,2-dibromo-1,1-dioxo-thiolan-3-ol, (3R,4S)-4-amino-2,2-dibromo-1,1-dioxothiolan-3-ol, Thiophene-3-ol, 4-amino-2,2-dibromotetrahydro-, 1,1-dioxide, cis-, (3R,4S)-4-Amino-2,2-dibromo-3-hydroxy-1lambda~6~-thiolane-1,1-dione
| Molecular Formula | C4H7Br2NO3S |
| Molecular Weight | 306.85135 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.85135 Da |
| Heavy Atoms | 11 |
| Complexity | 257.0 |
| SMILES | C1[C@H]([C@H](C(S1(=O)=O)(Br)Br)O)N |
| InChIKey | KVVLWUJYHPGICW-PWNYCUMCSA-N |
The XLogP value of -0.5 indicates that Thiophene-3-ol, 4-amino-2,2-dibromotetrahydro-, 1,1-dioxide, cis- 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 Thiophene-3-ol, 4-amino-2,2-dibromotetrahydro-, 1,1-dioxide, cis-. Following Lipinski's Rule of Five, Thiophene-3-ol, 4-amino-2,2-dibromotetrahydro-, 1,1-dioxide, cis- 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 Thiophene-3-ol, 4-amino-2,2-dibromotetrahydro-, 1,1-dioxide, cis- is 146578-04-3.
The molecular formula of Thiophene-3-ol, 4-amino-2,2-dibromotetrahydro-, 1,1-dioxide, cis- is C4H7Br2NO3S.
The molecular weight of Thiophene-3-ol, 4-amino-2,2-dibromotetrahydro-, 1,1-dioxide, cis- is 306.85135 g/mol.
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