3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide
TL;DR: 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide (CAS 87947-25-9) is a chemical compound with molecular formula C4H4ClNO4S and molecular weight 196.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide
Also Known As: 3-chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide, 4-nitro-3-chloro-3-thiolene 1,1-dioxide, 4-chloro-3-nitro-2,5-dihydrothiophene-1,1-dione
| Molecular Formula | C4H4ClNO4S |
|---|---|
| Molecular Weight | 196.95 g/mol |
| LogP | 0.1419 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.95496 |
| Heavy Atoms | 11 |
| Complexity | 330.00122 |
Chemical Identifiers
| CAS Number | 87947-25-9 |
|---|---|
| SMILES | C1C(=C(CS1(=O)=O)Cl)[N+](=O)[O-] |
Product Overview
3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide (CAS 87947-25-9), with molecular formula C4H4ClNO4S and molecular weight 196.95 g/mol. IUPAC: 3-chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide
Property Insights of 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide
The XLogP value of 0.1419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide. Following Lipinski's Rule of Five, 3-Chloro-4-nitro-2,5-dihydrothiophene 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 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
The CAS number of 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide is 87947-25-9.
What is the molecular formula of 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
The molecular formula of 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide is C4H4ClNO4S.
What is the molecular weight of 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
The molecular weight of 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide is 196.95 g/mol.
Where can I buy 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
You can request a quote for 3-Chloro-4-nitro-2,5-dihydrothiophene 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 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-nitro-2,5-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.