1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite
TL;DR: 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite (CAS 10359-57-6) is a chemical compound with molecular formula C4H7NO5S and molecular weight 181.00449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-3-nitro-1-oxothietane-2,4-diol
Also Known As: USAF CS-399, 2-Nitro-2-methyl trimethylene sulfite, 3-methyl-3-nitro-1-oxothietane-2,4-diol, 2-Methyl-2-nitro-propylen-1,3-sulfit, 3-methyl-3-nitrothietane-2,4-diol 1-oxide
Technical Specifications
| Molecular Formula | C4H7NO5S |
| Molecular Weight | 181.00449 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.00449 Da |
| Heavy Atoms | 11 |
| Complexity | 211.0 |
| SMILES | CC1(C(S(=O)C1O)O)[N+](=O)[O-] |
| InChIKey | QYTRQJVRZWHUCU-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite
Property Insights of 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite
The XLogP value of -0.9 indicates that 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite?
The CAS number of 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite is 10359-57-6.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite?
The molecular formula of 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite is C4H7NO5S.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite?
The molecular weight of 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite is 181.00449 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite?
You can request a quote for 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-nitro-, cyclic sulfite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.