(2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide
TL;DR: (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide (CAS 149494-79-1) is a chemical compound with molecular formula C9H9BrO2S and molecular weight 259.95065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide
Also Known As: (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide, 2alpha-(4-Bromophenyl)-1,3-oxathiolane 3-oxide, (2R)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide, (2S)-2-(4-bromophenyl)-1,3-oxathiolan-3-ium-3-olate, 1,3-OXATHIOLANE,2-(4-BROMOPHENYL)-, 3-OXIDE, (2S-CIS)- (9CI)
Technical Specifications
| Molecular Formula | C9H9BrO2S |
| Molecular Weight | 259.95065 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.95065 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | C1CS(=O)[C@H](O1)C2=CC=C(C=C2)Br |
| InChIKey | LQGMRODQLQMMFQ-LLTODGECSA-N |
Chemical Property Profile of (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide
Property Insights of (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide. With a topological polar surface area (TPSA) of 45.5 Ų, (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide?
The CAS number of (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide is 149494-79-1.
What is the molecular formula of (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide?
The molecular formula of (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide is C9H9BrO2S.
What is the molecular weight of (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide?
The molecular weight of (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide is 259.95065 g/mol.
Where can I buy (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide?
You can request a quote for (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide?
Yes, CoreyChem provides custom synthesis services for (2S)-2-(4-bromophenyl)-1,3-oxathiolane 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.