5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide
TL;DR: 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide (CAS 100130-40-3) is a chemical compound with molecular formula C5H7BrO2S and molecular weight 209.93501 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide
Also Known As: IFLAB-BB F1068-0036, 5-bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide, 5-bromo-4-methyl-2,3-dihydro-thiophene-1,1-dioxide
Technical Specifications
| Molecular Formula | C5H7BrO2S |
| Molecular Weight | 209.93501 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.93501 Da |
| Heavy Atoms | 9 |
| Complexity | 245.0 |
| SMILES | CC1=C(S(=O)(=O)CC1)Br |
| InChIKey | PSMXJESKICQYFP-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide
Property Insights of 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide?
The CAS number of 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide is 100130-40-3.
What is the molecular formula of 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide?
The molecular formula of 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide is C5H7BrO2S.
What is the molecular weight of 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide?
The molecular weight of 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide is 209.93501 g/mol.
Where can I buy 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide?
You can request a quote for 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.