(Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane
TL;DR: (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane (CAS 106231-47-4) is a chemical compound with molecular formula C7H12N2O2S2 and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-(5,5-dimethyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
Also Known As: J1.552.845A, (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane, 5,5-Dimethyl-1,3-dithiolane-4-one (Z)-O-(methylcarbamoyl)oxime, [(4Z)-5,5-dimethyl-1,3-dithiolan-4-ylidene]amino N-methylcarbamate, [(Z)-(5,5-dimethyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
| Molecular Formula | C7H12N2O2S2 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.872 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.03403 |
| Heavy Atoms | 13 |
| Complexity | 240.64705 |
Chemical Identifiers
| CAS Number | 106231-47-4 |
|---|---|
| SMILES | CC1(/C(=N/OC(=O)NC)/SCS1)C |
Product Overview
(Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane (CAS 106231-47-4), with molecular formula C7H12N2O2S2 and molecular weight 220.03 g/mol. IUPAC: [(Z)-(5,5-dimethyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate.
Chemical Property Profile of (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane
Property Insights of (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane
The XLogP value of 1.872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane. With a topological polar surface area (TPSA) of 50.69 Ų, (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane 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 (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane?
The CAS number of (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane is 106231-47-4.
What is the molecular formula of (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane?
The molecular formula of (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane is C7H12N2O2S2.
What is the molecular weight of (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane?
The molecular weight of (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane is 220.03 g/mol.
Where can I buy (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane?
You can request a quote for (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5,5-Dimethyl-4-(O-(methylcarbamoyl)oximino)-1,3-dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.