3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
TL;DR: 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 65017-48-3) is a chemical compound with molecular formula C5H7BrO2S and molecular weight 209.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide
Also Known As: 3-bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide, 4-bromo-3-methyl-2-sulfolene, 3-bromo-4-methyl-2,3-dihydro-1, IFLAB-BB F1068-0035, 3-bromo-4-methyl-2,3-dihydro-1lambda6-thiophene-1,1-dione
| Molecular Formula | C5H7BrO2S |
|---|---|
| Molecular Weight | 209.94 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.93501 |
| Heavy Atoms | 9 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 65017-48-3 |
|---|---|
| SMILES | CC1=CS(=O)(=O)CC1Br |
| InChIKey | DEUTYJVGWAZEKM-UHFFFAOYSA-N |
Product Overview
3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 65017-48-3), with molecular formula C5H7BrO2S and molecular weight 209.94 g/mol. IUPAC: 3-bromo-4-methyl-2,3-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
Property Insights of 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione 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
Frequently Asked Questions
What is the CAS number of 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The CAS number of 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione is 65017-48-3.
What is the molecular formula of 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular formula of 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione is C5H7BrO2S.
What is the molecular weight of 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular weight of 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione is 209.94 g/mol.
Where can I buy 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
You can request a quote for 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-methyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.