2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide
TL;DR: 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide (CAS 59375-57-4) is a chemical compound with molecular formula C6H10N2O3S2 and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-oxo-1,4-dithian-2-ylidene)amino] N-methylcarbamate
Also Known As: 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide, [(4-oxo-1,4-dithian-2-ylidene)amino] N-methylcarbamate
| Molecular Formula | C6H10N2O3S2 |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.01329 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 59375-57-4 |
|---|---|
| SMILES | CNC(=O)ON=C1CS(=O)CCS1 |
| InChIKey | WMJAOBLEVKPJKZ-UHFFFAOYSA-N |
Product Overview
2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide (CAS 59375-57-4), with molecular formula C6H10N2O3S2 and molecular weight 222.01 g/mol. IUPAC: [(4-oxo-1,4-dithian-2-ylidene)amino] N-methylcarbamate.
Chemical Property Profile of 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide
Property Insights of 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide
The XLogP value of -0.2 indicates that 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide. Following Lipinski's Rule of Five, 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide has 1 hydrogen bond donor(s) and 6 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 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide?
The CAS number of 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide is 59375-57-4.
What is the molecular formula of 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide?
The molecular formula of 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide is C6H10N2O3S2.
What is the molecular weight of 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide?
The molecular weight of 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide is 222.01 g/mol.
Where can I buy 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide?
You can request a quote for 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.