3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide
TL;DR: 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide (CAS 14618-10-1) is a chemical compound with molecular formula C7H5NO5S and molecular weight 214.98885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-3H-1,2λ6-benzoxathiole 2,2-dioxide
Also Known As: HNTAS, 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide, 5-nitro-3H-1,2, 5-Nitro-3H-1,2-benzoxathiole 2,2-dioxide, 5-nitro-1,2lambda~6~-benzoxathiole-2,2(3H)-dione
Technical Specifications
| Molecular Formula | C7H5NO5S |
| Molecular Weight | 214.98885 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.98885 Da |
| Heavy Atoms | 14 |
| Complexity | 340.0 |
| SMILES | C1C2=C(C=CC(=C2)[N+](=O)[O-])OS1(=O)=O |
| InChIKey | NKGKZWZGRMZCMO-UHFFFAOYSA-N |
Chemical Property Profile of 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide
Property Insights of 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide. Following Lipinski's Rule of Five, 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide?
The CAS number of 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide is 14618-10-1.
What is the molecular formula of 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide?
The molecular formula of 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide is C7H5NO5S.
What is the molecular weight of 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide?
The molecular weight of 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide is 214.98885 g/mol.
Where can I buy 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide?
You can request a quote for 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide?
Yes, CoreyChem provides custom synthesis services for 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.