3-Nitrotetrahydrothiophene 1,1-dioxide
TL;DR: 3-Nitrotetrahydrothiophene 1,1-dioxide (CAS 18760-21-9) is a chemical compound with molecular formula C4H7NO4S and molecular weight 165.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrothiolane 1,1-dioxide
Also Known As: 3-nitrothiolane 1,1-dioxide, 3-nitro-1lambda6-thiolane-1,1-dione, 3-nitrotetrahydrothiophene 1,1-dioxide, 3-nitrotetrahydrothiophene1,1-dioxide
| Molecular Formula | C4H7NO4S |
|---|---|
| Molecular Weight | 165.01 g/mol |
| LogP | -0.5498 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.00958 |
| Heavy Atoms | 10 |
| Complexity | 243.9832 |
Chemical Identifiers
| CAS Number | 18760-21-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1[N+](=O)[O-] |
Product Overview
3-Nitrotetrahydrothiophene 1,1-dioxide (CAS 18760-21-9), with molecular formula C4H7NO4S and molecular weight 165.01 g/mol. IUPAC: 3-nitrothiolane 1,1-dioxide.
Chemical Property Profile of 3-Nitrotetrahydrothiophene 1,1-dioxide
Property Insights of 3-Nitrotetrahydrothiophene 1,1-dioxide
The XLogP value of -0.5498 indicates that 3-Nitrotetrahydrothiophene 1,1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrotetrahydrothiophene 1,1-dioxide. Following Lipinski's Rule of Five, 3-Nitrotetrahydrothiophene 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-Nitrotetrahydrothiophene 1,1-dioxide?
The CAS number of 3-Nitrotetrahydrothiophene 1,1-dioxide is 18760-21-9.
What is the molecular formula of 3-Nitrotetrahydrothiophene 1,1-dioxide?
The molecular formula of 3-Nitrotetrahydrothiophene 1,1-dioxide is C4H7NO4S.
What is the molecular weight of 3-Nitrotetrahydrothiophene 1,1-dioxide?
The molecular weight of 3-Nitrotetrahydrothiophene 1,1-dioxide is 165.01 g/mol.
Where can I buy 3-Nitrotetrahydrothiophene 1,1-dioxide?
You can request a quote for 3-Nitrotetrahydrothiophene 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-Nitrotetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrotetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.