(E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime
TL;DR: (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime (CAS 327983-49-3) is a chemical compound with molecular formula C6H10N2OS2 and molecular weight 190.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(4-methyl-2-methylimino-1,3-dithiolan-4-yl)methylidene]hydroxylamine
Also Known As: (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime
| Molecular Formula | C6H10N2OS2 |
|---|---|
| Molecular Weight | 190.02 g/mol |
| LogP | 1.6709 |
| Topological Polar Surface Area | 44.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02345 |
| Heavy Atoms | 11 |
| Complexity | 204.75896 |
Chemical Identifiers
| CAS Number | 327983-49-3 |
|---|---|
| SMILES | CC1(CSC(=NC)S1)/C=N/O |
Product Overview
(E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime (CAS 327983-49-3), with molecular formula C6H10N2OS2 and molecular weight 190.02 g/mol. IUPAC: (NE)-N-[(4-methyl-2-methylimino-1,3-dithiolan-4-yl)methylidene]hydroxylamine.
Chemical Property Profile of (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime
Property Insights of (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime
The XLogP value of 1.6709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime. With a topological polar surface area (TPSA) of 44.95 Ų, (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime 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 (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime?
The CAS number of (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime is 327983-49-3.
What is the molecular formula of (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime?
The molecular formula of (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime is C6H10N2OS2.
What is the molecular weight of (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime?
The molecular weight of (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime is 190.02 g/mol.
Where can I buy (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime?
You can request a quote for (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-methyl-2-(methylimino)-1,3-dithiolane-4-carbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.