2-Nitrososulfanylbutane
TL;DR: 2-Nitrososulfanylbutane (CAS 15459-93-5) is a chemical compound with molecular formula C4H9NOS and molecular weight 119.04048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitrososulfanylbutane
Also Known As: 2-(Nitrosothio)butane, 2-(nitrososulfanyl)butane, N-oxobutane-2-sulfenamide, thionitrous acid S-sec-butyl ester
Technical Specifications
| Molecular Formula | C4H9NOS |
| Molecular Weight | 119.04048 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.04048 Da |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
| SMILES | CCC(C)SN=O |
| InChIKey | JDGLMFNTIUSUJX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitrososulfanylbutane
Property Insights of 2-Nitrososulfanylbutane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrososulfanylbutane. With a topological polar surface area (TPSA) of 54.7 Ų, 2-Nitrososulfanylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitrososulfanylbutane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Nitrososulfanylbutane?
The CAS number of 2-Nitrososulfanylbutane is 15459-93-5.
What is the molecular formula of 2-Nitrososulfanylbutane?
The molecular formula of 2-Nitrososulfanylbutane is C4H9NOS.
What is the molecular weight of 2-Nitrososulfanylbutane?
The molecular weight of 2-Nitrososulfanylbutane is 119.04048 g/mol.
Where can I buy 2-Nitrososulfanylbutane?
You can request a quote for 2-Nitrososulfanylbutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrososulfanylbutane?
Yes, CoreyChem provides custom synthesis services for 2-Nitrososulfanylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.