4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one
TL;DR: 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one (CAS 84401-95-6) is a chemical compound with molecular formula C5H7NO2S2 and molecular weight 176.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one
Also Known As: 4-methyl-2-oxo-1,3-dithiolane-4-carbaldehyde oxime, 4-(hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one
| Molecular Formula | C5H7NO2S2 |
|---|---|
| Molecular Weight | 176.99 g/mol |
| LogP | 1.8051 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.99182 |
| Heavy Atoms | 10 |
| Complexity | 182.48677 |
Chemical Identifiers
| CAS Number | 84401-95-6 |
|---|---|
| SMILES | CC1(CSC(=O)S1)C=NO |
Product Overview
4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one (CAS 84401-95-6), with molecular formula C5H7NO2S2 and molecular weight 176.99 g/mol. IUPAC: 4-(hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one.
Chemical Property Profile of 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one
Property Insights of 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one
The XLogP value of 1.8051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one. With a topological polar surface area (TPSA) of 49.66 Ų, 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one has 1 hydrogen bond donor(s) and 5 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 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one?
The CAS number of 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one is 84401-95-6.
What is the molecular formula of 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one?
The molecular formula of 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one is C5H7NO2S2.
What is the molecular weight of 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one?
The molecular weight of 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one is 176.99 g/mol.
Where can I buy 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one?
You can request a quote for 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hydroxyiminomethyl)-4-methyl-1,3-dithiolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.