4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide
TL;DR: 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide (CAS 70232-96-1) is a chemical compound with molecular formula C5H6BrNO4S and molecular weight 254.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methyl-3-nitro-2H-thiophene 1,1-dioxide
Also Known As: 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide, 3-bromo-4-methyl-3-nitro-2H-thiophene 1,1-dioxide, 4-bromo-3-methyl-4-nitro-4,5-dihydrothiophene-1,1-dione, Thiophene, 3-bromo-2,3-dihydro-4-methyl-3-nitro-, 1,1-dioxide, 3-Bromo-4-methyl-3-nitro-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
| Molecular Formula | C5H6BrNO4S |
|---|---|
| Molecular Weight | 254.92 g/mol |
| LogP | 0.6865 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.92009 |
| Heavy Atoms | 12 |
| Complexity | 359.6445 |
Chemical Identifiers
| CAS Number | 70232-96-1 |
|---|---|
| SMILES | CC1=CS(=O)(=O)CC1([N+](=O)[O-])Br |
Product Overview
4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide (CAS 70232-96-1), with molecular formula C5H6BrNO4S and molecular weight 254.92 g/mol. IUPAC: 3-bromo-4-methyl-3-nitro-2H-thiophene 1,1-dioxide.
Chemical Property Profile of 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide
Property Insights of 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide
The XLogP value of 0.6865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide. Following Lipinski's Rule of Five, 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide has 0 hydrogen bond donor(s) and 4 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 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide?
The CAS number of 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide is 70232-96-1.
What is the molecular formula of 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide?
The molecular formula of 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide is C5H6BrNO4S.
What is the molecular weight of 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide?
The molecular weight of 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide is 254.92 g/mol.
Where can I buy 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide?
You can request a quote for 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.